Basic information
- CAS
52089-32-4- Standard SMILES
CC(O)C(C)c1ccccc1- InChIKey
KDNYCTPSPZHJQF-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 3-Phenylbutan-2-ol
- IUPAC
- 3-phenylbutan-2-ol
- English name
- Benzeneethanol,.alpha.,.be
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
3-phenylbutan-2-ol52089-32-4RefChem:504929979-544-4Benzeneethanol,.alpha.,.be3-Phenyl-2-butanolL-(+)-THREO-3-PHENYL-BUTAN-2-OL3-Phenyl-butan-2-olBenzeneethanol, .alpha.,.beta.-dimethyl-erythro-3-phenyl-2-butanolmethyl-2-phenyl-propan-1-olSCHEMBL611639
Show more names
Benzeneethanol, α,β-dimethyl-3-Phenylbutane-2-olα,β-Dimethylbenzeneethanol(+/-)-THREO-3-PHENYL-BUTAN-2-OL
SCHEMBL3762114SCHEMBL6222300SCHEMBL28466803Benzeneethanol, alpha,beta-dimethyl-MFCD00267781AKOS013214150(-)-ERYTHRO-3-PHENYL-BUTAN-2-OLD-(-)-THREO-3-PHENYL-BUTAN-2-OL
Database identifiers
- CAS
52089-32-4- PubChem CID
- 562145
- EC Number
- 979-544-4
- Nikkaji
- J119.409G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 73 °C · 73 °C(Press: 2 Torr)
- Density
- 0.9824 g/cm3 · 0.9824 g/cm3(Temp: 25 °C)
- pka
- 14.86 · 14.86±0.20(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers4 total
天津林宸科技有限公司15122256084 15122256084 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
3 records
Compound notes
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