Basic information
- CAS
84060-80-0- Standard SMILES
C/C=C(/C)C(=O)OCC/C=C\CC- InChIKey
JNWQKXUWZWKUAY-BHHIIOOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067982
Names & identifiers
- Preferred name
- 2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2Z)-
- IUPAC
- [(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate
- English name
- (Z,Z)-3-hexenyl 2-methyl-2-butenoate
- Molecular formula
- C11H18O2
- Molecular weight
- 182.26
Names & synonyms
2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2Z)-2-Butenoic acid, 2-methyl-, 3-hexenyl ester, (Z,Z)-RefChem:467987(Z)-3-Hexenyl Angelate84060-80-0cis-3-Hexenyl angelate(Z,Z)-3-Hexenyl 2-methyl-2-butenoate(Z)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate[(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate(z)-3-hexen-1-yl angelateEINECS 281-904-4(3Z)-hex-3-en-1-yl (2Z)-2-methylbut-2-enoate
Show more names
2-Methylisocrotonic acid (Z)-3-hexenyl ester(Z)-2-Methyl-2-butenoic acid (Z)-3-hexenyl ester
SCHEMBL872853DTXSID5012640082-Butenoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester, (2Z)-AKOS015840264DB-248229(3Z)-3-Hexen-1-yl (2Z)-2-methyl-2-butenoateQ67866067
Database identifiers
- CAS
84060-80-0- PubChem CID
- 16220109
- DTXSID
DTXSID501264008- EC Number
- 281-904-4
- Nikkaji
- J42.333E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
FragrancesFragrance Ingredient ((Z)-3-Hexenyl angelate) -> IFRA transparency List
Physicochemical properties
- Odor
- 100 % · at 100.00 %. green floral herbal apple pear
- Odor Type
- green
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.2 · 4.200 (est)
Safety & regulation
Hazard information
Regulatory Information
Chemical: 2-Butenoic acid, 2-methyl-, 3-hexenyl ester, (Z,Z)-
2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2Z)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Butenoic acid, 2-methyl-, 3-hexenyl ester, (Z,Z)-: Environment tier I assessment
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Related reactions
1 records
Compound notes
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