(E)-hex-3-en-1-ol (Click)
IUPAC Name: (E)-hex-3-en-1-ol
Std.InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
InChI: InChI=1/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
Std.InChIKey: UFLHIIWVXFIJGU-ONEGZZNKSA-N
InChIKey: UFLHIIWVXFIJGU-ONEGZZNKBX
SMILES: CC/C=C/CCO
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| CAS Number: | 928-97-2 |
| % from: | 92.00% to 98.00% |
| ECHA EC Number: | 213-193-3 |
| FDA UNII: | 4E0NFR5B3U |
| Beilstein Number: | 1719713 |
| MDL: | MFCD00002960 |
| FEMA Number: | 4356 |
| CoE Number: | 750 |
| XlogP3-AA: | 1.30 (est) |
| Molecular Weight: | 100.16084000 |
| Formula: | C6 H12 O |
| BioActivity Summary: | listing |
| NMR Predictor: | Predict |
| Also(can) Contains: | (Z)-3-hexen-1-ol 0.10% to 8.00% |
| Category: | flavor and fragrance agents |
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| US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: |
| 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 |
| JECFA Food Flavoring: | 1621 trans-3-hexenol |
| FEMA Number: | 4356 trans-3-hexenol |
| FDA Mainterm: | TRANS-3-HEXENOL |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.83700 to 0.84700 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 6.965 to 7.048
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| Refractive Index: | 1.43500 to 1.44500 @ 20.00 °C.
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| Boiling Point: | 61.00 to 62.00 °C. @ 12.00 mm Hg
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| Boiling Point: | 155.00 to 156.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 1.039000 mm/Hg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 138.00 °F. TCC ( 58.89 °C. )
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| logP (o/w): | 1.612 (est) |
Organoleptic Properties:
| Odor Type: | green |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
Odor Description: at 1.00 % in dipropylene glycol. | intensely green bitter earthy fatty |
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Cosmetic Information:
Suppliers:
Safety Information:
| European information : |
| Most important hazard(s): | | Xi - Irritant |
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R 36 - Irritating to 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 37/39 - Wear suitable gloves and eye/face protection.
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: | | |
Not determined
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| Dermal Toxicity: | | |
Not determined
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| Inhalation Toxicity: | | |
Not determined
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Safety in Use Information:
| Category: | flavor and fragrance agents |
| Recommendation for (E)-3-hexen-1-ol usage levels up to: | | | 1.0000 % in the fragrance concentrate.
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| 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 on the "Resources" link. |
| publication number: 23 |
| | average usual ppm | average maximum ppm |
| baked goods: | 15.00000 | 30.00000 |
| beverages(nonalcoholic): | 5.00000 | 15.00000 |
| beverages(alcoholic): | 0.10000 | 15.00000 |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | 200.00000 | 1000.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | 10.00000 | 40.00000 |
| egg products: | - | - |
| fats / oils: | 5.00000 | 50.00000 |
| fish products: | - | - |
| frozen dairy: | 10.00000 | 20.00000 |
| fruit ices: | 0.50000 | 20.00000 |
| gelatins / puddings: | - | - |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | 10.00000 | 50.00000 |
| imitation dairy: | - | - |
| instant coffee / tea: | 1.00000 | 5.00000 |
| jams / jellies: | 0.01000 | 2.00000 |
| meat products: | - | - |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | 10.00000 | 50.00000 |
| soups: | 1.00000 | 20.00000 |
| sugar substitutes: | - | - |
| sweet sauces: | - | - |
Safety References:
References:
Other Information:
Potential Blenders and core components note
| | amyl formate | FL/FR |
| | benzyl disulfide | FL |
| | bornyl formate | FL/FR |
| 2,4- | decadienal | FL |
| 3- | decen-2-one | FL/FR |
| | dihydroxyacetophenone (mixed isomers) | FL |
| | dodecanal (aldehyde C-12 lauric) | FL/FR |
| | dodecanal dimethyl acetal | FL/FR |
| | epoxy-2-decenal | FL |
| | ethyl hexanoate | FL/FR |
| | fern absolute | |
| | fresh carbaldehyde | FR |
| | furfuryl hexanoate | FL |
| | geranium absolute | FL/FR |
| | guaiyl acetate | FL/FR |
| (E,E)-2,4- | heptadienal | FL |
| delta- | heptalactone | FL/FR |
| | heptanal cyclic propylene acetal | FL/FR |
| 3- | heptanone | FL/FR |
| (Z)-4- | heptenal | FL/FR |
| 2- | heptenal | FL/FR |
| 2- | heptyl furan | FL/FR |
| | hexanal (aldehyde C-6) | FL/FR |
| | hexanal butane-2,3-diol acetal | FL |
| | hexanal octane-1,3-diol acetal | FL |
| (Z)-3- | hexen-1-yl tiglate | FL/FR |
| | hexyl (E)-2-hexenoate | FL |
| alpha- | hexyl cinnamaldehyde dimethyl acetal | FR |
| 6- | hydroxydihydrotheaspirane (mixture of isomers) | FL/FR |
| | linalool oxide | FL/FR |
| | methyl 2-hexenoate | FL/FR |
| | methyl 2-methyl butyrate | FL/FR |
| (E,Z)-2,6- | nonadienal | FL/FR |
| 2,4- | nonadienal | FL |
| (E,Z)-3,6- | nonadien-1-ol | FL/FR |
| 2,4- | nonadien-1-ol | FL/FR |
| (E)-2- | nonenal | FL/FR |
| 1- | nonen-3-ol | FL/FR |
| (E,E)-2,4- | octadienal | FL |
| (E)-2- | octenal | FL/FR |
| 2- | octenal | FL/FR |
| (E)-2- | octen-1-yl acetate | FL/FR |
| | octen-1-yl cyclopentanone | FL/FR |
| 1- | octen-3-ol | FL/FR |
| | octyl acetate | FL/FR |
| | octyl isobutyrate | FL/FR |
| 2- | pentyl furan | FL/FR |
| 2- | phenyl propyl acetate | FL/FR |
| 1- | phenyl-2-pentanol | FL/FR |
| | propylene glycol acetone ketal | FL |
| | tropical trithiane | FL/FR |
| | undecanal (aldehyde C-11 undecylic) | FL/FR |
Potential Uses:
Natural Occurrence in: note
Synonyms:
| (3E)- | hex-3-en-1-ol | | (E)- | hex-3-en-1-ol | | trans- | hex-3-en-1-ol | | (E)- | hex-3-enol | | (3E)-3- | hexen-1-ol | | (E)-3- | hexen-1-ol | | trans-3- | hexen-1-ol | | 3- | hexen-1-ol (E) | | 3- | hexen-1-ol, (3E)- | | 3- | hexen-1-ol, (E)- | | (3E)- | hexenol | | (E)-3- | hexenol | | T3 | hexenol | | trans-3- | hexenol | | trans-3- | hexenol | | | hexenol 80/20 beta gamma |
Articles:
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| Soluble in: |
| | alcohol | | | water, 1.6e+004 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
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