(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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click on the picture(s) below to interact with the 3D model |
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Soluble in: |
| alcohol | | water, 1.6e+004 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
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