Benzeneacetic acid, 3,4-dimethoxy-, methyl ester

HCID 85213

Notes Reactions

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Basic information

CAS: 15964-79-1
Standard SMILES: COC(=O)Cc1ccc(OC)c(OC)c1
InChIKey: DILOFCBIBDMHAY-UHFFFAOYSA-N
Molecular formula: C11H14O4
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.08920893

Names & identifiers

Preferred name: Benzeneacetic acid, 3,4-dimethoxy-, methyl ester
IUPAC: methyl 2-(3,4-dimethoxyphenyl)acetate
English name: METHYL HOMOVERATRATE
Molecular formula: C11H14O4
Molecular weight: 210.23

Names & synonyms

15964-79-1Benzeneacetic acid, 3,4-dimethoxy-, methyl esterMethyl 3,4-dimethoxyphenylacetateHomoveratric acid, methyl esterEINECS 240-100-3AI3-10503DTXSID5065982RefChem:562850DTXCID7035141240-100-3methyl 2-(3,4-dimethoxyphenyl)acetateMETHYL HOMOVERATRATE

Show more names

ASISCHEM P46906Homoveratric acid methylMethyl 2-(3,4-dimethoxyphenyl)VERATRYLACETIC ACID METHYL ESTERMETHYL 3,4-DIMETHOXYPHENYL ACETATEMethyl homoveratrate, 10 mM in DMSO

3,4-DIMETHOXYPHENYLACETIC ACID METHYL ESTERMethyl (3,4-dimethoxyphenyl)acetateMFCD00017206Acetic acid, (3,4-dimethoxyphenyl)-, methyl ester2-(3,4-Dimethoxyphenyl)ethanoic Acid Methyl Ester; 3,4-Dimethoxyphenylacetic Acid Methyl Ester; Homoveratric Acid Methyl Ester; Methyl (3,4-Dimethoxyphenyl)acetate; Methyl 2-(3,4-Dimethoxyphenyl)acetateGUW5AW3B4Z(3,4-dimethoxyphenyl)acetic acid methyl ester2-(3,4-Dimethoxyphenyl)ethanoic acid methyl ester

Database identifiers

CAS: 15964-79-1
PubChem CID: 85213
DTXSID: DTXSID5065982
ChEMBL: CHEMBL3289680
UNII: GUW5AW3B4Z
EC Number: 240-100-3
Nikkaji: J47.238G

Properties

Computed structural properties

XLogP: 1.3
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: 205

Physicochemical properties

Boiling point: 175 ℃ · 175℃ (15 Torr)
Density: 1.105 · 1.105±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.5253 · 1.5253 (23℃)
Flash point: 121.6 · 121.6±23.2℃
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
color: Colourless
EPA Substance Registry System: 3 · Benzeneacetic acid, 3,4-dimethoxy-, methyl ester (15964-79-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.