Benzoic acid, 2,4-dimethoxy-, methyl ester

HCID 137451

Notes Reactions

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Basic information

CAS: 2150-41-6
Standard SMILES: COC(=O)c1ccc(OC)cc1OC
InChIKey: IHIJFZWLGPEYPJ-UHFFFAOYSA-N
Molecular formula: C10H12O4
Average molar mass: 196.2 g/mol
Monoisotopic mass: 196.07355886

Names & identifiers

Preferred name: Benzoic acid, 2,4-dimethoxy-, methyl ester
IUPAC: methyl 2,4-dimethoxybenzoate
English name: METHYL 2,4-DIMETHOXYBENZOATE
Molecular formula: C10H12O4
Molecular weight: 196.2

Names & synonyms

2150-41-6Benzoic acid, 2,4-dimethoxy-, methyl esterDTXSID10175839RefChem:1078924DTXCID6098330Methyl 2,4-dimethoxybenzoate2,4-Dimethoxybenzoic acid methyl esterMFCD00070649NSC49277Methyl 2,4-dimethoxybenzoate, 98%NSC 49277NSC-49277

Show more names

RARECHEM AL BF 00252,4-dimethoxymethyl benzoateMethyl2,4-Dimethoxybenzoate>Methyl 2,4-dimethoxybenzoate 98%

AKOS005138058AS-10501Q634088422,4-Dihydroxybenzoic acid, dimethyl ether, methyl esterFT-0634070SCHEMBL645462SCHEMBL7952934CHEMBL2252251

Database identifiers

CAS: 2150-41-6
PubChem CID: 137451
DTXSID: DTXSID10175839
ChEMBL: CHEMBL2252251
Nikkaji: J127.122I

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 193

Physicochemical properties

Boiling point: 294 · 294-296 °C(lit.)
Density: 1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.548(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: powder to lump to clear liquid
color: White or Colorless to Light yellow
Specific Gravity: 1.194 · 1.194
InChI: 1S/C10H12O4/c1-12-7-4-5-8(10(11)14-3)9(6-7)13-2/h4-6H,1-3H3
InChIKey: IHIJFZWLGPEYPJ-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(OC)cc1OC
CAS DataBase Reference: 2150 · 2150-41-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: Eyeshields, Gloves
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HS Code: 29189900 · 29189900
Storage Class: 12 · 12 - Non Combustible Liquids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29189900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Storage Class: 12 - Non Combustible Liquids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

UsesMethyl 2,4-dimethoxybenzoate was used in the synthesis of 1,5-diaryl-1,3,5-pentanetriones.

General DescriptionMethyl 2,4-dimethoxybenzoate has highest antifeedant index and are the best candidates for practical applications in order to protect planted seedlings in the field.