Methyl p-tolylacetate

HCID 90265CAS 23786-13-2

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)Cc1ccc(C)cc1
InChIKey: LSAGWGNECLEVPE-UHFFFAOYSA-N
Molecular formula: C10H12O2
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.08372962

Names & identifiers

Preferred name: Methyl p-tolylacetate
IUPAC: methyl 2-(4-methylphenyl)acetate
English name: Methyl 4-methylphenylacetate
Molecular formula: C10H12O2
Molecular weight: 164.2

Names & synonyms

23786-13-2Methyl p-tolylacetateMethyl 4-methylphenylacetatemethyl 2-(4-methylphenyl)acetatep-Tolylacetic Acid Methyl EsterS9AO74KS0MAI3-35904Benzeneacetic acid, 4-methyl-, methyl esterEINECS 245-885-6DTXSID20178472RefChem:818013DTXCID50100963

Show more names

ASISCHEM D13370Methylp-Tolylacetate>P-methylphenylmethyl acetateMethyl p-methylphenylacetate

245-885-6Methyl 2-(p-tolyl)acetatemethylp-tolylacetateMFCD00056243p-Methylphenylacetic acid methyl ester4-Methylphenylacetic acid methyl esterMethyl (4-methylphenyl)acetate428482-12-6

Database identifiers

CAS: 23786-13-2
PubChem CID: 90265
DTXSID: DTXSID20178472
UNII: S9AO74KS0M
EC Number: 245-885-6
Nikkaji: J45.127D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 146

Physicochemical properties

Melting point: 60 · 60-60.5 °C
Boiling point: 118 °C · 118 °C (13 mmHg)
Density: 1.04 · 1.04
refractive index: 1.5035 · 1.5035-1.5055
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Almost colorless
InChI: 1S/C10H12O2/c1-8-3-5-9(6-4-8)7-10(11)12-2/h3-6H,7H2,1-2H3
InChIKey: LSAGWGNECLEVPE-UHFFFAOYSA-N
SMILES: COC(=O)Cc1ccc(C)cc1
CAS DataBase Reference: 23786 · 23786-13-2(CAS DataBase Reference)
FDA UNII: 9 AO74KS0M · S9AO74KS0M
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety Statements: 24 · 24/25
RIDADR: 1993 · 1993
WGK Germany: 3 · 3
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29163990 · 29163990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

wgk: 3
ridadr: 1993
hs_code: 29163990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
hazard_class: 3.2
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313