Methyl alpha-methylbenzeneacetate

HCID 569653
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Basic information

CAS
31508-44-8
Standard SMILES
COC(=O)C(C)c1ccccc1
InChIKey
DZIQUZJSNSZOCH-UHFFFAOYSA-N
Molecular formula
C10H12O2
Average molar mass
164.2 g/mol
Monoisotopic mass
164.08372962

Names & identifiers

Preferred name
Methyl alpha-methylbenzeneacetate
IUPAC
methyl 2-phenylpropanoate
English name
R,S-2-Phenyl-propionicacidmethylester
Molecular formula
C10H12O2
Molecular weight
164.2

Names & synonyms

31508-44-8Methyl 2-phenylpropionateQW1K1BTG3VBenzeneacetic acid, alpha-methyl-, methyl esterRefChem:1089538Methyl alpha-methylbenzeneacetate250-667-9methyl 2-phenylpropanoateMethyl hydratropateR,S-2-Phenyl-propionicacidmethylester2-PHENYLPROPANOIC ACID METHYL ESTERMFCD06795946
Show more names
Methyl(±)-hydratropateLoxoprofen Impurity 114Loxoprofen Impurity 109Hydratropicacid,methylesterMethylα-methylphenylacetateMethylα-methylbenzeneacetate(±)-Methyl2-phenylpropanoate2-Phenylpropionic acid methyl
2-phenyl-propionic acid methyl esterBenzeneacetic acid, .alpha.-methyl-, methyl esterUNII-QW1K1BTG3VEINECS 250-667-9methyl2-phenylpropanoateHydratropic acid, methylAI3-07002methyl-2-phenylpropanoate

Database identifiers

CAS
31508-44-8
PubChem CID
569653
DTXSID
DTXSID50953496
UNII
QW1K1BTG3V
EC Number
250-667-9
Nikkaji
J45.125H

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Boiling point
98 · 98-100 °C(Press: 12 Torr)
Density
1.029 · 1.029±0.06 g/cm3(Predicted)
LogP
2.31 · 2.310 (est)
FDA UNII
1 K1BTG3V · QW1K1BTG3V
HS Code
2916399090 · 2916399090

Safety & regulation

Safety data

hs_code
2916399090

Chemistry & industry

Upstream & downstream products

Suppliers52 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

23 records
New reaction record

Compound notes

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