Basic information
- CAS
6126-50-7- Standard SMILES
CC=CCCCO- InChIKey
VTIODUHBZHNXFP-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Overview
Hex-4-en-1-ol has been reported in Gossypium hirsutum with data available.
Names & identifiers
- Preferred name
- Hex-4-en-1-ol
- IUPAC
- hex-4-en-1-ol
- English name
- E-4-Hexen-1-ol
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
hex-4-en-1-olDTXSID30862476RefChem:784367DTXCID40811233InChI=1/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2928-91-66126-50-74-hexen-l-olFEMA No. 3430(4Z)-4-Hexen-1-ol4-hexenolhydroxypropyl propylene
Show more names
(4Z)-4-Hexene-1-olSCHEMBL98124SCHEMBL98125SCHEMBL7298217SCHEMBL7369848SCHEMBL8467528SCHEMBL15561477AKOS028109167
Database identifiers
- CAS
6126-50-7、928-91-6- PubChem CID
- 61370
- DTXSID
DTXSID30862476- EC Number
- 639-129-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48.1
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (4-Hexen-1-ol, (4Z)-) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- 22.55 °C · 22.55°C (estimate)
- Boiling point
- 152.63 °C · 152.63°C (estimate)
- Density
- 0.8513 · 0.8513
- refractive index
- 1.4402 · 1.4402
- FEMA
- 3430 · 3430 | 4-HEXEN-1-OL
- FLAVIS Number
- 2.074 · 02.074 | Hex-4-en-1-ol
- Odor
- 0.1 % · at 0.10 % in propylene glycol. pungent green vegetable oily
- Odor Type
- green
- JECFA Number
- 318 · 318
- LogP
- 1.54 · 1.54
- Substances Added to Food (formerly EAFUS)
- 4 · 4-HEXEN-1-OL
- FDA UNII
- 6 QZU1YM7 · KD6QZU1YM7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 4-Hexen-1-ol, (Z)-
Chemical: 4-Hexen-1-ol
4-Hexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard
4-Hexen-1-ol, (4Z)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA]
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
UsesUsed as a flavoring agent; [FDA]
Use ClassificationFragrance Ingredients
General Manufacturing Information4-Hexen-1-ol, (4Z)-: ACTIVE
Applications
Description4-Hexen-l-ol has a pungent oily odor. May be synthesized by treating cis- and frans-3-chloro-2-methyl-tetrahydropyrone with sodium in ether.
OccurrenceThe cis- and trans-forms occur in banana, the cis-form in passion fruit; also reported in beans, butter and olive
UsesE-4-Hexen-1-ol is used as gB 2760--1996 specifies the permitted use of food flavorings.
Preparation methods
PreparationBy treating cis- and trans-3-chloro-2-methyl-tetrahydropyrone with sodium in ether.
Upstream & downstream products
Upstream raw materials
Suppliers18 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
金克隆（北京）生物技术有限公司400-910-1997 15330005590 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
安徽进博香料有限公司15102127101 15556562013 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Additional notes
DefinitionChEBI: 4-Hexen-1-ol, (E)- is an aliphatic alcohol.
Related reactions
18 records
Compound notes
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