| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 2305-21-7 |
| ECHA EC Number: | 218-972-1 |
| FDA UNII: | 4786A28X17 |
| CoE Number: | 69 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | 2-hexen-1-ol |
| InChI : | InChI=1/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3 |
| Std.InChI: | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3 |
| InChIKey : | ZCHHRLHTBGRGOT-UHFFFAOYAD |
| Std.InChIKey: | ZCHHRLHTBGRGOT-UHFFFAOYSA-N |
| SMILES : | CCCC=CCO |
| Molar Refractivity : | 31.43 ± 0.3 cm3 (est) |
| Parachor : | 274.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.442 ± 0.02 (est) |
| Surface Tension : | 28.7 ± 3.0 dyne/cm (est) |
| Density : | 0.843 ± 0.06 g/cm3 (est) |
| Polarizability : | 12.46 ± 0.5 10-24cm3 (est) |
| 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: | 1354 2-hexen-1-ol |
| DG SANTE Food Flavourings: | 02.020 hex-2-en-1-ol |
| FEMA Number: | 2562 2-hexen-1-ol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2305-21-7 ; 2-HEXEN-1-OL |
| 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: | 95.80 to 96.50 sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.83600 to 0.84100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.956 to 6.998 |
| Refractive Index: | 1.43700 to 1.44200 @ 20.00 °C. |
| Boiling Point: | 158.00 to 160.00 °C. @ 760.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 0.873000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 143.00 °F. TCC ( 61.67 °C. ) |
| logP (o/w): | 1.655 (est) |
| Soluble in: | |
| alcohol | |
| water, very slightly | |
| water, 1.6e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Advanced Biotech |
| TRANS-2-HEXENOL NATURAL 92% min. |
| Axxence Aromatic |
| NATURAL TRANS-2-HEXENOL |
| Sustainability |
| Bedoukian Research |
| trans-2-HEXEN-1-OL ≥95.0%, Kosher Odor: Sharp, green, leafy, fruity, unripe banana Use: Adds pleasant fruity notes to lavender, mint and geranium compositions. Flavor: Sweet, fruity, slightly green, and fatty Useful for fruit flavors, such as apple, pear, banana, peach, and berries. |
| BOC Sciences |
| For experimental / research use only. |
| 2-Hexen-1-ol |
| Excellentia International |
| trans-2-Hexenol Natural |
| M&U International |
| Nat. Trans-2-hexenol |
| PCW France |
| Trans-2-Hexenol |
| Steps to a fragranced product |
| Phoenix Aromas & Essential Oils |
| Trans-2-Hexenol Natural |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. 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 36 - Wear suitable protective clothing. | |
| 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 3500 mg/kg Useful for fruit flavors, such as apple, pear, banana, peach, and berries. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 4500 mg/kg Useful for fruit flavors, such as apple, pear, banana, peach, and berries. | |
| 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 | |||
| Recommendation for 2-hexen-1-ol usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 650.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 291.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 5900 (μg/person/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 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 4.10000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.63000 | |
| fruit ices: | - | 0.63000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 3.80000 | |
| 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: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 21.56000 | 23.75000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | - | - | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 20.16000 | 23.90000 | |
| Chewing gum (05.3): | 1.63000 | 3.92000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 21.56000 | 23.75000 | |
| Bakery wares (07.0): | 22.29000 | 27.03000 | |
| Meat and meat products, including poultry and game (08.0): | - | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | - | - | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 7.32000 | 9.70000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | - | - | |
| Ready-to-eat savouries (15.0): | - | - | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
| 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): |
| EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,�-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19 View page or View pdf |
| Safety and efficacy of 26 compounds belonging to chemical group 3 (a,�-unsaturated straight-chain and branched-chain aliphatic primary alcohols, aldehydes, acids and esters) when used as flavourings for all animal species and categories View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,�-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3 View page or View pdf |
| Safety of 31 flavouring compounds belonging to different chemical groups when used as feed additives for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):2305-21-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :13577 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| hex-2-en-1-ol |
| Chemidplus:0002305217 |
| hex-2-en-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2305-21-7 |
| Pubchem (cid): | 13577 |
| Pubchem (sid): | 135017436 |
| (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 |
| HMDB (The Human Metabolome Database): | HMDB30952 |
| FooDB: | FDB002930 |
| Export Tariff Code: | 2905.29.9000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FR | apple |
| FR | banana |
| FR | berry |
| FR | butter |
| FL | cheese parmesan cheese |
| FR | cherry |
| FL | chocolate cocoa |
| FR | currant red currant |
| FR | geranium |
| FR | grape |
| FR | green |
| FR | kiwi |
| FR | lavender |
| FR | mint |
| FL | nut |
| FR | orange |
| FL | pea green pea |
| FR | peach |
| FR | pear |
| FR | raspberry |
| FR | strawberry |
| FL | tea |
| FL | tomato |
| FL | vegetable |
| apple juice Search PMC Picture | |
| asparagus Search Trop Picture | |
| beer Search PMC Picture | |
| cognac Search PMC Picture | |
| hop oil Search Trop Picture | |
| kiwi fruit Search Trop Picture | |
| mentha longifolia (l.) huds. oil jordan @ trace% Data GC Search Trop Picture | |
| olive Search Trop Picture | |
| peach fruit Search Trop Picture | |
| strawberry wild strawberry fruit Search Trop Picture | |
| tea Search Trop Picture | |
| tomato Search Trop Picture | |
| wine white wine Search Picture |
| hex-2-en-1-ol | |
| hex-2-enol | |
| 2- | hexenol |
| 3- | propyl allyl alcohol |
