Ethyl p-tolylacetate

HCID 84175

Notes Reactions

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Basic information

CAS: 14062-19-2
Standard SMILES: CCOC(=O)Cc1ccc(C)cc1
InChIKey: BTRGZBIXPLFVNK-UHFFFAOYSA-N
Molecular formula: C11H14O2
Average molar mass: 178.23 g/mol
Monoisotopic mass: 178.09937969

Names & identifiers

Preferred name: Ethyl p-tolylacetate
IUPAC: ethyl 2-(4-methylphenyl)acetate
English name: ETHYL P-TOLYLACETATE
Molecular formula: C11H14O2
Molecular weight: 178.23

Names & synonyms

Ethyl p-tolylacetateEINECS 237-904-1DTXSID20161445NSC 46878RefChem:596363DTXCID3083936237-904-114062-19-2Ethyl 4-MethylphenylacetateEthyl 2-(p-tolyl)acetateethyl 2-(4-methylphenyl)acetateBenzeneacetic acid, 4-methyl-, ethyl ester

Show more names

P-tolyacetateETHYL 4-TOLYL ACETATEEthyl p-tolylacetate 98%Ethyl p-tolylacetate, 97+%Ethyl p-tolylacetate, 98+%

Ethyl (4-methylphenyl)acetateMFCD000091814-Methylphenylacetic acid ethyl esterp-Tolylacetic acid ethyl esterEthyl-p-tolylacetateEthyl-4-tolylacetateEthyl p-methylphenylacetateNSC-46878

Database identifiers

CAS: 14062-19-2
PubChem CID: 84175
DTXSID: DTXSID20161445
UNII: G6T6X25NBN
EC Number: 237-904-1
Nikkaji: J209.053H

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: 157

Physicochemical properties

Melting point: 62 · 62-63
Boiling point: 116 · 116-118 °C13 mm Hg(lit.)
Density: 1.008 g/mL · 1.008 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.496(lit.)
Flash point: 229 °F · 229 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow
BRN: 2045927 · 2045927
InChI: 1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey: BTRGZBIXPLFVNK-UHFFFAOYSA-N
SMILES: CCOC(=O)Cc1ccc(C)cc1
CAS DataBase Reference: 14062 · 14062-19-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29163990 · 29163990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29163990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesEthyl p-tolylacetate was used in preparation of:ethyl-substituted phenylpropioloylacetatesethyl 2-(4-bromomethylphenyl)propionate()-incrustoporin, antifungal agent