Basic information
- CAS
705-58-8- Standard SMILES
CC(C)C(O)Cc1ccccc1- InChIKey
AFLKKLSCQQGOEK-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Methyl-1-phenylbutan-2-ol
- IUPAC
- 3-methyl-1-phenylbutan-2-ol
- English name
- 3-methyl-1-phenylbutan-2-ol
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
3-Methyl-1-phenylbutan-2-olRefChem:555763705-58-81-Phenyl-3-methyl-2-butanolBenzeneethanol, .alpha.-(1-methylethyl)-alpha-Isopropyl-phenethyl alcoholPhenethyl alcohol, .alpha.-isopropyl-Benzeneethanol, alpha-(1-methylethyl)-N06AQ6J88Y3-methyl-1-phenyl-butan-2-olNSC-68518UNII-N06AQ6J88Y
Show more names
Ai3-05670Benzeneethanol, α-(1-methylethyl)-alpha-(1-methylethyl)-benzeneethano.alpha.-(1-methylethyl)-Benzeneethanol
alpha-Isopropylphenethyl alcoholNSC68518Benzeneethanol, a-(1-methylethyl)-EINECS 211-886-5MFCD11934524NSC 68518methyl phenyl butanol3-METHYL-1-PHENYL-2-BUTANOL
Database identifiers
- CAS
705-58-8- PubChem CID
- 98019
- DTXSID
DTXSID00862382- UNII
- N06AQ6J88Y
- EC Number
- 211-886-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.721 · 2.721 (est)
- CAS DataBase Reference
- 705 · 705-58-8
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 AQ6J88Y · N06AQ6J88Y
- EPA Substance Registry System
- Benzeneethanol, .alpha.-(1-methylethyl)- (705-58-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H227-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
- TSCA
- TSCA listed
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: Benzeneethanol, .alpha.-(1-methylethyl)-
Benzeneethanol, .alpha.-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H227-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneethanol, .alpha.-(1-methylethyl)-: ACTIVE
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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