Basic information
- CAS
57625-74-8- Standard SMILES
COC(=O)C(C)(C)c1ccccc1- InChIKey
WITYUUTUSPKOAB-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- Methyl 2-methyl-2-phenylpropanoate
- IUPAC
- methyl 2-methyl-2-phenylpropanoate
- English name
- Methyl 2,2-dimethylphenylacetate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
methyl 2-methyl-2-phenylpropanoateRefChem:814526805-721-157625-74-8METHYL 2,2-DIMETHYLPHENYLACETATEMFCD01846451methyl 2-(2,3-dimethylphenyl)acetatemethyl 2-methyl-2-phenyl-propanoateSCHEMBL7284712-methyl-2-phenyl-propionic acid methyl esterMethyl-2-methyl-2 phenyl-propanoateMethyl 2,2-dimethyl-2-phenylacetate
Show more names
Methyl dimethylbenzeneacetatea,a-DimethylphenylmethylacetateMethyl 2-Methyl-PhenylpropionateMethyl α,α-dimethylbenzeneacetateMethyl 2,2-dimethylbenzoylacetatemethyl 2-methyl-2-phenylpropionateMethyl 2,2-dimethylphenylacetate, >=98%
CS-W007095Benzeneacetic acid, alpha,alpha-dimethyl-, methyl esterAC-15244EN300-247059Ethyl2,2-dimethylphenylacetatealpha,alpha-d2-Methyl-2-phenylpropanoic acid methyl esterEC 805-721-1
Database identifiers
- CAS
57625-74-8- PubChem CID
- 143498
- DTXSID
DTXSID60206288- EC Number
- 805-721-1
- Nikkaji
- J359.995G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 70 °C · 70 °C(Press: 1.5 Torr)
- Density
- 1.012 · 1.012±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- InChI
- InChI=1S/C11H14O2/c1-11(2,10(12)13-3)9-7-5-4-6-8-9/h4-8H,1-3H3
- InChIKey
- WITYUUTUSPKOAB-UHFFFAOYSA-N
- SMILES
- C(C1C=CC=CC=1)(C)(C)C(=O)OC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2916399090 · 2916399090
- REACH Registrations
- Active
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 ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationStatus: Active Update: 30-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/10625
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory InformationStatus: Active Update: 30-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/10625
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesMethyl Dimethylbenzeneacetate (cas# 57625-74-8) is a compound useful in organic synthesis.
Suppliers91 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州信诺医药科技有限公司0570-3856196 13615701454 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
22 records
Compound notes
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