Ethyl m-tolylacetate

HCID 96574

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Basic information

CAS: 40061-55-0
Standard SMILES: CCOC(=O)Cc1cccc(C)c1
InChIKey: RVIWPVAVHHVQIR-UHFFFAOYSA-N
Molecular formula: C11H14O2
Average molar mass: 178.23 g/mol
Monoisotopic mass: 178.09937969

Names & identifiers

Preferred name: Ethyl m-tolylacetate
IUPAC: ethyl 2-(3-methylphenyl)acetate
English name: Ethyl 3-methylphenylacetate
Molecular formula: C11H14O2
Molecular weight: 178.23

Names & synonyms

Ethyl m-tolylacetate40061-55-0Ethyl 2-(m-tolyl)acetateethyl 2-(3-methylphenyl)acetateEthyl meta-tolylacetatem-Tolylacetic acid ethyl esterBenzeneacetic acid, 3-methyl-, ethyl esterEthyl (3-methylphenyl)acetateXTK8AD9RY3Ethyl m-methylphenylacetateEthyl 3-methylbenzeneacetateEthyl 3-tolyacetate

Show more names

Ethyl m-tolylacetate 98%ETHYL M-TOLYLACETATE 98Ethyl 3-methylphenylacetate

EINECS 254-778-3NSC-806773-Methylphenylacetic acid ethyl esterRVIWPVAVHHVQIR-UHFFFAOYSA-DTXSID20193125(3-METHYLPHENYL)ACETIC ACID ETHYL ESTERNSC 80677ACETIC ACID, M-TOLYL-, ETHYL ESTER

Database identifiers

CAS: 40061-55-0
PubChem CID: 96574
DTXSID: DTXSID20193125
UNII: XTK8AD9RY3
EC Number: 254-778-3
Nikkaji: J209.052J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 165

Physicochemical properties

Boiling point: 237 · 237-238 °C(lit.)
Density: 0.998 g/mL · 0.998 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.496(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
BRN: 2252144 · 2252144
InChI: 1S/C11H14O2/c1-3-13-11(12)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChIKey: RVIWPVAVHHVQIR-UHFFFAOYSA-N
SMILES: CCOC(=O)Cc1cccc(C)c1
FDA UNII: 8 AD9RY3 · XTK8AD9RY3
NIST Chemistry Reference: Ethyl meta-tolylacetate(40061-55-0)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
PPE: Eyeshields, Gloves
Risk Statements: 36 · 36/37-39
Safety Statements: 26 · 26-37/39-24/25
WGK Germany: 3 · 3
HS Code: 2916.39 · 2916.39.7900
Storage Class: 12 · 12 - Non Combustible Liquids