Basic information
- CAS
6256-31-1- Standard SMILES
CC(C)(O)Cc1ccccc1Cl- InChIKey
VPCZPZMZROSBOP-UHFFFAOYSA-N- Molecular formula
- C10H13ClO
- Average molar mass
- 184.66 g/mol
- Monoisotopic mass
- 184.0654927
Names & identifiers
- Preferred name
- Benzeneethanol, 2-chloro-alpha,alpha-dimethyl-
- IUPAC
- 1-(2-chlorophenyl)-2-methylpropan-2-ol
- English name
- o-chloro-alpha,alpha-dimethylphenethyl alcohol
- Molecular formula
- C10H13ClO
- Molecular weight
- 184.66
Names & synonyms
NSC 7112Benzeneethanol, 2-chloro-alpha,alpha-dimethyl-EINECS 228-386-8Benzeneethanol, 2-chloro-.alpha.,.alpha.-dimethyl-DTXSID1064168Phenethyl alcohol, o-chloro-alpha,alpha-dimethyl-RefChem:563203DTXCID0043393Phenethyl alcohol, o-chloro-alpha,alpha-dimethyl-(8CI)1-(2-chlorophenyl)-2-methylpropan-2-ol6256-31-11-(2-chlorophenyl)-2-methyl-2-propanol
Show more names
2-Chloro-α,α-dimethylbenzeneethanolBenzeneethanol,2-chloro-a,a-dimethyl-Benzeneethanol, 2-chloro-α,α-dimethyl-o-chloro-alpha,alpha-dimethylphenethyl alcohol ISO 9001：2015 REACH
o-Chlorobenzyldimethylcarbinolo-Chloro-alpha,alpha-dimethylphenethyl alcoholMFCD11610689NSC-7112NSC71121-(2-chlorophenyl)-2-methyl-propan-2-ol2-Chloro-alpha,alpha-dimethylbenzeneethanolU5E3W6TJ82
Database identifiers
- CAS
6256-31-1- PubChem CID
- 80403
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 3 Torr)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.85 · 14.85±0.29(Predicted)
- FDA UNII
- 5 E3W6TJ82 · U5E3W6TJ82
- EPA Substance Registry System
- 2 · Benzeneethanol, 2-chloro-.alpha.,.alpha.-dimethyl- (6256-31-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
- HS Code
- 2906290090 · 2906290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 2906290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneethanol, 2-chloro-.alpha.,.alpha.-dimethyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers16 total
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海旭仁化学科技有限公司021-31007982 18019432809 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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