Methyl 3,5-dimethoxyphenylacetate

HCID 592191CAS 6512-32-9

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)Cc1cc(OC)cc(OC)c1
InChIKey: CLZWNNSTRIEAMH-UHFFFAOYSA-N
Molecular formula: C11H14O4
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.08920893

Names & identifiers

Preferred name: Methyl 3,5-dimethoxyphenylacetate
IUPAC: methyl 2-(3,5-dimethoxyphenyl)acetate
English name: 3,5-DIMETHOXYPHENYLACETIC ACID METHYL ESTER
Molecular formula: C11H14O4
Molecular weight: 210.23

Names & synonyms

6512-32-9methyl 3,5-dimethoxyphenylacetateRefChem:814677664-864-6methyl 2-(3,5-dimethoxyphenyl)acetate3,5-dimethoxyphenylacetic acid methyl esterMethyl (3,5-dimethoxyphenyl)acetateBenzeneacetic acid,3,5-dimethoxy-, methyl esterMFCD00089971(3,5-Dimethoxyphenyl)acetic acid methyl esterMethyl (3,5-dimethoxyphenyl)acetate #BS-43768

Show more names

Ethyl 3,5-diMethoxyphenylacetate

M2933Benzeneacetic acid, 3,5-dimethoxy-, methyl esterMETHYL-3,5-DIMETHOXYPHENYLACETATEFT-07235073,5-DIMETHOXYPHENYLACETICACIDMETHYLESTER(3,5-dimSCHEMBL348963CLZWNNSTRIEAMH-UHFFFAOYSA-

Database identifiers

CAS: 6512-32-9
PubChem CID: 592191
DTXSID: DTXSID901382224
EC Number: 664-864-6
Nikkaji: J1.802.596E

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 193

Physicochemical properties

Boiling point: 94 °C/0.04mmHg · 94°C/0.04mmHg(lit.)
Density: 1.105 · 1.105±0.06 g/cm3(Predicted)
refractive index: 1.52 to · 1.5200 to 1.5240
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Colourless
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 319 · H319-H301
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2918.99 · 2918.99.4700

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

hs_code: 2918.99.4700
Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H319-H301
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P