Basic information
- CAS
14860-89-0- Standard SMILES
CC(C)c1cccc(C(C)(C)O)c1- InChIKey
GCFSLINNKUVOJH-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.1357652
Names & identifiers
- Preferred name
- alpha,alpha-Dimethyl-3-(1-methylethyl)benzenemethanol
- IUPAC
- 2-(3-propan-2-ylphenyl)propan-2-ol
- English name
- 3-Isopropyl-α,α-dimethylbenzyl alcohol
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
14860-89-0Benzenemethanol, alpha,alpha-dimethyl-3-(1-methylethyl)-DTXSID40164034RefChem:1076392DTXCID8086525alpha,alpha-Dimethyl-3-(1-methylethyl)benzenemethanol2-(3-iso-Propylphenyl)-2-propanol2-[3-(propan-2-yl)phenyl]propan-2-ol2-(3-ISOPROPYLPHENYL)PROPAN-2-OLMFCD00046571Benzenemethanol, alpha,alpha-dimethyl-3-(1-methylethyl)- (9CI)alpha,alpha-Dimethyl-3-isopropylbenzenemethanol
Show more names
2-(m-Cumenyl)-2-propanol3-Isopropyl-α,α-dimethylbenzyl alcohol3-Isopropyl-α,α-dimethylbenzyl alcoholα,α-Dimethyl-3-(1-methylethyl)benzenemethanolBenzenemethanol, α,α-dimethyl-3-(1-methylethyl)-
m-Hydroxydiisopropylbenzenem-Oxidiisopropylbenzene2-(3-propan-2-ylphenyl)propan-2-olBRN 22505173-Isopropyl-alpha,alpha-dimethylbenzyl alcoholalpha,alpha-Dimethyl-m-isopropylbenzyl alcohol3-Isopropyl-|A,|A-dimethylbenzyl alcoholBENZYL ALCOHOL, alpha,alpha-DIMETHYL-m-ISOPROPYL-
Database identifiers
- CAS
14860-89-0- PubChem CID
- 26939
- DTXSID
DTXSID40164034- Nikkaji
- J28.652D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 36 · 36-37 °C
- Boiling point
- 119 °C · 119 °C(Press: 15 Torr)
- Density
- 0.952 · 0.952±0.06 g/cm3(Predicted)
- pka
- 14.52 · 14.52±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers11 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安徽合诺生物科技有限公司18455579438
上海尚饮思生化医药有限公司021-021-57872719 13761402923 · [email protected]
台州川旭医药科技有限公司[email protected] · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
杭州臻合化成生物医药科技有限公司19330274507 19330274507 · [email protected]
Related reactions
1 records
Compound notes
Loading…