(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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