3-Methyl-2-hexen-1-yl 2-hydroxybenzoate
Basic information
- CAS
610271-60-8- Standard SMILES
CCCC(C)=CCOC(=O)c1ccccc1O- InChIKey
RBNXLCPNIUBXGU-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.12559443
Names & identifiers
- Preferred name
- 3-Methyl-2-hexen-1-yl 2-hydroxybenzoate
- IUPAC
- 3-methylhex-2-enyl 2-hydroxybenzoate
Names & synonyms
3-Methyl-2-hexen-1-yl 2-hydroxybenzoate610271-60-8RefChem:280776SCHEMBL5153087SCHEMBL30379224DTXSID60889196RBNXLCPNIUBXGU-UHFFFAOYSA-N3-METHYLHEX-2-EN-1-YL 2-HYDROXYBENZOATE
Database identifiers
- CAS
610271-60-8- PubChem CID
- 69333391
- DTXSID
DTXSID60889196- EC Number
- 453-440-4、638-732-3
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-, 3-methyl-2-hexen-1-yl ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: [No public or meaningful name is available] (EC: 453-440-4)
Hazard Classes and Categories
Skin Sens. 1B (100%)
Skin Sens. 1 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-hydroxy-, 3-methyl-2-hexen-1-yl ester: ACTIVE
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Compound notes
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