| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 123-51-3 |
| ECHA EC Number: | 204-633-5 |
| FDA UNII: | DEM9NIT1J4 |
| CoE Number: | 51 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | isoamyl alcohol |
| InChI : | InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| Std.InChI: | InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| InChIKey : | PHTQWCKDNZKARW-UHFFFAOYAW |
| Std.InChIKey: | PHTQWCKDNZKARW-UHFFFAOYSA-N |
| SMILES : | CC(C)CCO |
| MDL: | MFCD00002934 |
| Molar Refractivity : | 26.70 ± 0.3 cm3 (est) |
| Parachor : | 245.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.405 ± 0.02 (est) |
| Surface Tension : | 25.6 ± 3.0 dyne/cm (est) |
| Density : | 0.809 ± 0.06 g/cm3 (est) |
| Polarizability : | 10.58 ± 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: | 52 isoamyl alcohol |
| DG SANTE Food Flavourings: | 02.003 isopentanol |
| FEMA Number: | 2057 isoamyl alcohol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 123-51-3 ; ISOAMYL ALCOHOL |
| 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: | 99.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.80700 to 8.13000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.715 to 67.650 |
| Refractive Index: | 1.40500 to 1.41000 @ 20.00 °C. |
| Melting Point: | -117.00 to -116.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 131.00 to 133.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 68.00 to 69.00 °C. @ 50.00 mm Hg |
| Vapor Pressure: | 2.370000 mmHg @ 25.00 °C. |
| Vapor Density: | 3.0 ( Air = 1 ) |
| Flash Point: | 114.00 °F. TCC ( 45.56 °C. ) |
| logP (o/w): | 1.160 |
| Soluble in: | |
| alcohol | |
| water, 2.67E+04 mg/L @ 25 °C (exp) | |
| Similar Items:note | |
| amyl alcohol | |
| neoamyl alcohol | |
| sec-amyl alcohol | |
| sec-isoamyl alcohol | |
| tert-amyl alcohol | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents solvents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 20 - Harmful by inhalation. R 37 - Irritating to respiratory system. R 66 - Repeated exposure may cause skin dryness or cracking. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 46 - If swallowed, seek medical advice immediately and show this container or label. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 1300 mg/kg BLOOD: OTHER CHANGESKIDNEY, URETER, AND BLADDER: OTHER CHANGES LIVER: FATTY LIVER DEGERATION South African Medical Journal. Vol. 43, Pg. 795, 1969. oral-rabbit LD50 3438 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEACARDIAC: PULSE RATE SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. intravenous-mouse LD50 234 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. intravenous-cat LDLo 210 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978. intraperitoneal-mouse LDLo 233 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978. intravenous-rabbit LDLo 1570 mg/kg BEHAVIORAL: ANTIPSYCHOTIC Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978. intraperitoneal-rat LDLo 813 mg/kg Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 132, Pg. 214, 1928. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3970 ul/kg South African Medical Journal. Vol. 43, Pg. 795, 1969. subcutaneous-mouse LDLo 7480 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978. skin-rabbit LD50 3970 uL/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
| Inhalation Toxicity: | |
| inhalation-human TCLo 150 ppm SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTIONSENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYELUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943. | |
| 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 | |||
| Recommendation for isoamyl alcohol usage levels up to: | |||
| 0.8000 % in the fragrance concentrate. | |||
| 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: | 17.00000 | 27.00000 | |
| beverages(nonalcoholic): | 4.00000 | 17.00000 | |
| beverages(alcoholic): | 500.00000 | 4500.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 594.00000 | 594.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 5.00000 | 10.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 12.00000 | 46.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 158.00000 | 168.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 8.00000 | 14.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - 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 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - 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 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):123-51-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :31260 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1105 |
| WGK Germany:1 |
| 3-methylbutan-1-ol |
| Chemidplus:0000123513 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:123-51-3 |
| 3-methylbutan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 123-51-3 |
| Pubchem (cid): | 31260 |
| Pubchem (sid): | 134974567 |
| Flavornet: | 123-51-3 |
| Pherobase: | View |
| (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 |
| KEGG (GenomeNet): | C07328 |
| HMDB (The Human Metabolome Database): | HMDB06007 |
| FooDB: | FDB008131 |
| YMDB (Yeast Metabolome Database): | YMDB00570 |
| Export Tariff Code: | 2905.19.9090 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •major component of commercial amyl alcohol, fusel oil & potato-spirit oil.•grade: technical•fusel oil | |
| apple fruit Search PMC Picture | |
| apple juice Search PMC Picture | |
| banana fruit Search Trop Picture | |
| bay laurel leaf Search Trop Picture | |
| bean black bean stem oil Search Trop Picture | |
| beer Search PMC Picture | |
| blackberry fruit Search PMC Picture | |
| butter Search PMC Picture | |
| caninha Search PMC Picture | |
| cayenne fruit Search Trop Picture | |
| celery leaf Search Trop Picture | |
| celery shoot Search Trop Picture | |
| chamomile Search PMC Picture | |
| chamomile garden chamomile plant Search Trop Picture | |
| champaca concrete @ trace% Data GC Search Trop Picture | |
| cherimoya plant Search Trop Picture | |
| cherry sweet cherry Search Trop Picture | |
| citronella Search PMC Picture | |
| coffee roasted coffee Search PMC Picture | |
| corn silk Search Trop Picture | |
| cornmint oil india @ 0.08% Data GC Search Trop Picture | |
| cranberry fruit Search Trop Picture | |
| currant black currant fruit Search Trop Picture | |
| elder black elder flower oil Search Trop Picture | |
| eriocephalus punctulatus oil @ 0.10% Data GC Search Trop Picture | |
| geranium Search Trop Picture | |
| gingergrass oil @ 0.08% Data GC Search Trop Picture | |
| guava fruit Search Trop Picture | |
| kohlrabi stem Search Trop Picture | |
| mushroom giant puffball mushroom Search PMC Picture | |
| okra fruit Search Trop Picture | |
| orange fruit juice Search Trop Picture | |
| osmanthus absolute @ 0.05% Data GC Search Trop Picture | |
| pear plant Search Trop Picture | |
| plum fruit Search Trop Picture | |
| potato chip Search PMC Picture | |
| raisin Search PMC Picture | |
| raspberry red raspberry fruit Search Trop Picture | |
| rose oil otto bulgaria @ 0.01% Data GC Search Trop Picture | |
| roselle fruit Search Trop Picture | |
| roselle leaf Search Trop Picture | |
| roselle seed Search Trop Picture | |
| rosemary sap Search Trop Picture | |
| rum Search PMC Picture | |
| spearmint oil Search Trop Picture | |
| strawberry wild strawberry fruit Search Trop Picture | |
| tea leaf Search Trop Picture | |
| tomato Search Trop Picture | |
| truffle Search Picture | |
| walnut english walnut Search Trop Picture | |
| watermelon fruit juice Search Trop Picture | |
| wine Search PMC Picture |
| iso | amyl alcohol (natural) |
| iso | amyl alcohol – technical grade |
| iso | amyl alcohol FCC natural |
| iso | amyl alcohol nat. |
| iso | amyl alcohol natural |
| iso | amyl alcohol natural 98% F&F grade |
| iso | amyl alcohol P & F |
| iso | amyl alcohol synthetic |
| iso | amyl alcohol, natural 99% pharmacutical grade |
| iso | butyl carbinol |
| sec- | butyl carbinol |
| sec- | butylcarbinol |
| 3- | methyl butan-1-ol |
| 3- | methyl butanol |
| 3- | methyl-1-butanol |
| 2- | methyl-4-butanol |
| 3- | methylbutan-1-ol |
| nat.iso | amyl alcohol |
| nat.L-3- | methylbutanol |
| iso | pentanol |
| iso | pentyl alcohol |
