(Z)-hex-4-en-1-ol (Click)
IUPAC Name: (Z)-hex-4-en-1-ol
Std.InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2-
InChI: InChI=1/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2-
Std.InChIKey: VTIODUHBZHNXFP-IHWYPQMZSA-N
InChIKey: VTIODUHBZHNXFP-IHWYPQMZBQ
SMILES: C/C=C\CCCO
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| CAS Number: | 928-91-6 |
| % from: | 92.00% to 98.00% |
| ECHA EC Number: | 213-187-0 |
| FDA UNII: | 780WMA6J84 |
| Beilstein Number: | 1720136 |
| MDL: | MFCD00148974 |
| FEMA Number: | 3430 |
| XlogP3-AA: | 1.20 (est) |
| Molecular Weight: | 100.16084000 |
| Formula: | C6 H12 O |
| NMR Predictor: | Predict |
| Also(can) Contains: | (E)-4-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 |
| PubMed: | Search |
| NCBI: | Search |
| Flavis Number: | 02.160 (Old) |
| FEMA Number: | 3430 cis-4-hexen-1-ol |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85400 to 0.85800 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 7.106 to 7.139
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| Refractive Index: | 1.44200 to 1.44600 @ 20.00 °C.
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| Boiling Point: | 159.00 to 160.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 80.00 °C. @ 30.00 mm Hg
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| Acid Value: | 1.00 max. KOH/g
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| Vapor Pressure: | 0.929000 mm/Hg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 142.00 °F. TCC ( 61.11 °C. )
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| logP (o/w): | 1.541 (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. | green cooked vegetable tomato cooked turnup brothy gassy Luebke, William tgsc, (2009) |
| Odor sample from: | Bedoukian Research, Inc. |
Odor Description:
| Green, herbal, musty, tomato, with metallic and vegetable nuances Mosciano, Gerard P&F 15, No. 4, 59, (1990) |
Taste Description: at 20.00 ppm. | Green, tomato, fresh with herbal vegetable nuances Mosciano, Gerard P&F 15, No. 4, 59, (1990) |
| Substantivity: | 6 hour(s) at 100.00 % |
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Cosmetic Information:
Suppliers:
Safety Information:
| European information : |
| Most important hazard(s): | | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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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 |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.40 (μg/capita/day) |
| Recommendation for (Z)-4-hexen-1-ol usage levels up to: | | | 0.8000 % in the fragrance concentrate.
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| Recommendation for (Z)-4-hexen-1-ol flavor usage levels up to: | | | 20.0000 ppm in the finished product.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
| (4Z)- | hex-4-en-1-ol | | (Z)- | hex-4-en-1-ol | | cis- | hex-4-en-1-ol | | cis-4- | hexen-1-ol | | 4- | hexen-1-ol, (4Z)- | | 4- | hexen-1-ol, (Z)- | | (Z)-4- | hexenol | | cis-4- | hexenol | | cis-1- | hydroxy-4-hexene |
Articles:
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| Soluble in: |
| | alcohol | | | water, 1.6e+004 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
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