| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 106-22-9 |
| ECHA EC Number: | 203-375-0 |
| FDA UNII: | 565OK72VNF |
| CoE Number: | 59 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | citronellol |
| InChI : | InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3 |
| Std.InChI: | InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3 |
| InChIKey : | QMVPMAAFGQKVCJ-UHFFFAOYAO |
| Std.InChIKey: | QMVPMAAFGQKVCJ-UHFFFAOYSA-N |
| SMILES : | CC(CCC=C(C)C)CCO |
| MDL: | MFCD00002935 |
| Molar Refractivity : | 49.77 ± 0.3 cm3 (est) |
| Parachor : | 427.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.450 ± 0.02 (est) |
| Surface Tension : | 28.5 ± 3.0 dyne/cm (est) |
| Density : | 0.845 ± 0.06 g/cm3 (est) |
| Polarizability : | 19.73 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1219 DL-citronellol |
| DG SANTE Food Flavourings: | 02.011 citronellol |
| FEMA Number: | 2309 DL-citronellol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 106-22-9 ; DL-CITRONELLOL |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.85000 to 0.86000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.073 to 7.156 |
| Refractive Index: | 1.45000 to 1.46000 @ 20.00 °C. |
| Boiling Point: | 225.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 105.00 to 105.50 °C. @ 15.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.020000 mmHg @ 25.00 °C. |
| Vapor Density: | 5.4 ( Air = 1 ) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 3.300 |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| kerosene | |
| water, 105.5 mg/L @ 25 °C (est) | |
| paraffin oil | |
| fixed oils | |
| dipropylene glycol | |
| benzyl benzoate | |
| Insoluble in: | |
| water | |
| glycerin | |
| Stability: | |
| deo stick | |
| detergent perborate | |
| hard surface cleaner | |
| liquid detergent | |
| non-discoloring | |
| powder | |
| shampoo | |
| soap | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
| R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 Eye irritation (Category 2A), H319 Acute aquatic toxicity (Category 2), H401 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H317 - May cause an allergic skin reaction H319 - Causes serious eye irritation H401 - Toxic to aquatic life | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P272 - Contaminated work clothing should not be allowed out of the workplace. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P501 - Dispose of contents/ container to an approved waste disposal plant | |
| Human Experience: | |
| 6 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 3450 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 757, 1975. intramuscular-mouse LD50 4000 mg/kg Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 2650 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 757, 1975. subcutaneous-mouse LD50 880 mg/kg PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 73, 1952. | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Critical Effect: | |||
| Dermal sensitization | |||
| View the IFRA Standard | |||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 2.20 % | |||
| Category 2: Products applied to the axillae | |||
| 0.67 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 13.00 % | |||
| Category 4: Products related to fine fragrance | |||
| 12.00 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 3.20 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 3.20 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 3.20 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 3.20 % | |||
| Category 6: Products with oral and lip exposure | |||
| 7.30 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 25.00 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 25.00 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 1.30 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 24.00 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 87.00 % | |||
| Category 10B: Household aerosol/spray products | |||
| 87.00 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 48.00 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 48.00 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 320.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.50 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 3. Update in publication number(s): 29 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 6.00000 | 20.00000 | |
| beverages(nonalcoholic): | 1.00000 | 4.00000 | |
| beverages(alcoholic): | 1.00000 | 4.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 8.00000 | 9.00000 | |
| condiments / relishes: | 0.30000 | 0.45000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | 0.30000 | 0.45000 | |
| fish products: | 0.30000 | 0.45000 | |
| frozen dairy: | 1.00000 | 40.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 2.00000 | 6.00000 | |
| granulated sugar: | - | - | |
| gravies: | 0.30000 | 0.45000 | |
| hard candy: | 2.00000 | 2.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.30000 | 0.45000 | |
| milk products: | - | - | |
| nut products: | 0.30000 | 0.45000 | |
| other grains: | 0.30000 | 0.45000 | |
| poultry: | 0.30000 | 0.45000 | |
| processed fruits: | - | - | |
| processed vegetables: | 0.30000 | 0.45000 | |
| reconstituted vegetables: | 0.30000 | 0.45000 | |
| seasonings / flavors: | 0.30000 | 0.45000 | |
| snack foods: | 0.30000 | 0.45000 | |
| soft candy: | 142.00000 | 181.00000 | |
| soups: | 0.30000 | 0.45000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 View page or View pdf |
| Safety and efficacy of non-conjugated and accumulated unsaturated straight-chain and branched-chain, aliphatic primary alcohols, aldehydes, acids, acetals and esters belonging to chemical group 4 when used as flavourings for all animal species View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3 View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):106-22-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8842 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WISER:UN 3082 |
| WGK Germany:1 |
| 3,7-dimethyloct-6-en-1-ol |
| Chemidplus:0000106229 |
| RTECS:RH3400000 for cas# 106-22-9 |
| 3,7-dimethyloct-6-en-1-ol |
| Chemidplus:0026489010 |
| Leffingwell: | Chirality or Article |
| 3,7-dimethyloct-6-en-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 106-22-9 |
| Pubchem (cid): | 8842 |
| Pubchem (sid): | 134971625 |
| Flavornet: | 106-22-9 |
| Pherobase: | View |
| 3,7-dimethyloct-6-en-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 26489-01-0 |
| Pubchem (cid): | 8842 |
| Pubchem (sid): | 134996399 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| UM BBD: | Search |
| KEGG (GenomeNet): | C09849 |
| HMDB (The Human Metabolome Database): | HMDB35093 |
| FooDB: | FDB014490 |
| YMDB (Yeast Metabolome Database): | YMDB01372 |
| Export Tariff Code: | 2905.22.5010 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FR | abronia |
| FR | aldehydic |
| FR | amber |
| FR | apple blossom |
| FR | apricot |
| FR | baby powder |
| blossom | |
| FR | blue grass |
| FR | blue mist |
| FR | bouquet |
| FR | bubble gum |
| FR | cedarwood |
| FR | cherry |
| FR | citrus |
| clean | |
| erica | |
| FR | fern |
| FR | floral |
| FR | fresh and clean |
| FL | fruit tropical fruit |
| FR | gardenia |
| FR | geranium |
| FR | hawthorn |
| FR | heliotrope |
| FR | herbal |
| FR | honey |
| FR | jasmin |
| FR | lavender |
| FR | lemon |
| FR | lily |
| FR | lily of the valley |
| FR | lime |
| lux beauty shower soap | |
| FR | lychee |
| FR | magnolia |
| my sin | |
| FR | new car |
| FR | oriental |
| FR | patchouli |
| FR | peach |
| FR | peony |
| FR | pineapple |
| FR | plum |
| FR | powder |
| FR | raspberry |
| FR | rose |
| FR | rose d'orient |
| FR | rose moss rose |
| FR | rose red rose |
| FR | rose tea rose |
| FR | rose white rose |
| FR | sweet pea |
| tabu | |
| FL | tea |
| tide | |
| FR | verbena |
| FR | wallflower |
| apple fruit Search PMC Picture | |
| apricot fruit Search Trop Picture | |
| artemisia vestita wall. flower oil @ 2.20% Data GC Search Trop Picture | |
| basil Search Trop Picture | |
| basil oil Search Trop Picture | |
| basil oil sweet poland @ 0.11% Data GC Search Trop Picture | |
| basil plant Search Trop Picture | |
| bergamot mint oil @ <0.1-0.8% Data GC Search Trop Picture | |
| bilberry fruit juice Search Trop Picture | |
| blueberry fruit Search Trop Picture | |
| caraway seed Search Trop Picture | |
| caraway seed oil @ trace% Data GC Search Trop Picture | |
| cardamom fruit Search Trop Picture | |
| cardamom fruit oil Search Trop Picture | |
| cardamom seed oil Search Trop Picture | |
| cassis bud oil @ 0.00-0.18% Data GC Search Trop Picture | |
| citronella oil ceylon @ 6.15% Data GC Search Trop Picture | |
| citronella oil china @ 9.92% Data GC Search Trop Picture | |
| citronella oil java @ 11.19% Data GC Search Trop Picture | |
| citronella oil zimbabwe @ 1.65% Data GC Search Trop Picture | |
| coriander fruit Search Trop Picture | |
| coriander oil Search Trop Picture | |
| coriander seed oil Search Trop Picture | |
| cornmint oil india @ 0.10% Data GC Search Trop Picture | |
| currant black currant fruit Search Trop Picture | |
| cymbopogon citratus (dc.) stapf. oil cuba @ <0.10% Data GC Search Trop Picture | |
| echinophora cinerea oil iran @ 0.80% Data GC Search Trop Picture | |
| eucalyptus citriodora oil @ 4.18% Data GC Search Trop Picture | |
| eucalyptus dalrympleana maiden leaf oil ethiopia @ 0.40% Data GC Search Trop Picture | |
| eucalyptus globulus oil pakistan @ 13.60% Data GC Search Trop Picture | |
| fennel oil Search Trop Picture | |
| geranium oil Search Trop Picture | |
| geranium oil africa @ 22.90% Data GC Search Trop Picture | |
| geranium oil bourbon @ 21.38% Data GC Search Trop Picture | |
| geranium oil bourbon @ 21.56% Data GC Search Trop Picture | |
| geranium oil china @ 40.23% Data GC Search Trop Picture | |
| geranium oil egypt @ 27.40% Data GC Search Trop Picture | |
| geranium oil moroccan @ 19.30% Data GC Search Trop Picture | |
| geranium oil rwanda @ 11.41% Data GC Search Trop Picture | |
| geranium rose-scented oil (pelargonium spp.) cuba @ 25.60% Data GC Search Trop Picture | |
| ginger rhizome Search Trop Picture | |
| ginger rhizome oil Search Trop Picture | |
| ginger root oil brazil @ 1.00% Data GC Search Trop Picture | |
| ginger root oil china @ 0.21% Data GC Search Trop Picture | |
| grape leaf Search Trop Picture | |
| grapefruit oil california @ 0.04% Data GC Search Trop Picture | |
| ho leaf oil @ 0.25% Data GC Search Trop Picture | |
| honey Search PMC Picture | |
| lemon balm shoot Search Trop Picture | |
| lemon leaf oil Search Trop Picture | |
| lemon pericarp Search Trop Picture | |
| lemon pericarp oil Search Trop Picture | |
| lemongrass oil @ 0.60% Data GC Search Trop Picture | |
| lemongrass oil cameroon @ 0.10% Data GC Search Trop Picture | |
| lemongrass oil guatemala @ 0.40% Data GC Search Trop Picture | |
| lemongrass oil morocco @ 0.50% Data GC Search Trop Picture | |
| lemongrass oil rwanda @ 0.97% Data GC Search Trop Picture | |
| lemongrass plant Search Trop Picture | |
| lime oil distilled mexico @ 0.02% Data GC Search Trop Picture | |
| lychee fruit Search Trop Picture | |
| mandarin fruit Search Trop Picture | |
| mandarin oil @ 2.24% Data GC |
| .beta.- | citronellol |
| (.+/-.)- | citronellol |
| (+/-)- | citronellol |
| (+/-)-beta- | citronellol |
| (±)- | citronellol |
| beta- | citronellol |
| DL- | citronellol |
| citronellol (ex eucalyptus citriodora) | |
| citronellol –dextro | |
| citronellol 70 | |
| citronellol 700 | |
| citronellol 750 | |
| citronellol 80 | |
| citronellol 85 | |
| citronellol 90/92 | |
| citronellol 95 | |
| citronellol 950 | |
| citronellol 96/98 | |
| citronellol AJ | |
| citronellol BRI | |
| citronellol coeur | |
| citronellol coeur FCC (synthetic) | |
| citronellol extra | |
| citronellol extra 93/95% FCC | |
| citronellol extra FCC | |
| citronellol FCC | |
| citronellol givco extra (Givaudan) | |
| citronellol HMS citronnelle | |
| citronellol natural | |
| citronellol prime | |
| citronellol pure | |
| citronellol pure FCC | |
| citronellol regular | |
| citronellol synthetic FCC | |
| citronellol, natural | |
| citronellyl alcohol | |
| 2,6- | dimethyl-2-octen-8-ol |
| 3,7- | dimethyl-6-octen-1-ol |
| 3,7- | dimethyl-6-octenol |
| 3,7- | dimethyl-oct-6-en-1-ol |
| 3,7- | dimethyloct-6-en-1-ol |
| elenol | |
| 6- | octen-1-ol, 3,7-dimethyl- |
| 6- | octen-1-ol,7-dimethyl- |
