Ethyl 2-Methoxybenzoate

HCID 81784

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Basic information

CAS: 66507-71-9
Standard SMILES: CCOC(=O)c1ccccc1OC
InChIKey: FNODWEPAWIJGPM-UHFFFAOYSA-N
Molecular formula: C10H12O3
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.07864424

Names & identifiers

Preferred name: Ethyl 2-Methoxybenzoate
IUPAC: ethyl 2-methoxybenzoate
English name: Ethanol, 2,2,2-nitrilotris-, compd. with 1,4-dichloro-2-butene polymer with N,N,N,N-tetramethyl-2-butene-1,4-diamine (2:1)
Molecular formula: C18H39Cl2N3O3
Molecular weight: 416.43

Names & synonyms

Ethyl 2-methoxybenzoateEthyl o-anisate2-Methoxybenzoic acid ethyl esterEthyl o-methoxybenzoateEthyl ortho-anisateBenzoic acid, 2-methoxy-, ethyl estero-Anisic acid, ethyl esterDTXSID90471261OB313918PUNII-1OB313918PEINECS 230-843-1ETHYLMETHOXY SALICYLATE

Show more names

Ethanol, 2,2,2-nitrilotris-, compd. with 1,4-dichloro-2-butene polymer with N,N,N,N-tetramethyl-2-butene-1,4-diamine (2:1)

AI3-30234DTXCID7027126o-Methoxybenzoic acid, ethyl esterETHYLMETHOXY SALICYLATE [WHO-DD]RefChem:138616670-271-3FNODWEPAWIJGPM-UHFFFAOYSA-N7335-26-4

Database identifiers

CAS: 66507-71-9、7335-26-4
PubChem CID: 81784
DTXSID: DTXSID9047126
ChEMBL: CHEMBL3183817
UNII: 1OB313918P
EC Number: 230-843-1、670-271-3
Nikkaji: J110.026B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 168

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

FragrancesFragrance Ingredient (Ethyl 2-methoxybenzoate) -> IFRA transparency List

Flavoring AgentsEU Flavoring substances

Physicochemical properties

EPA Substance Registry System: 1 · Triethanolamine 1,4-dichloro-2-butene N,N,N',N'-tetramethyl-2-butene-1,4-diamine polymer (66507-71-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 100% (266 of 266) of all reports.

Not Classified

Aggregated GHS information provided per 266 reports by companies from 1 notifications to the ECHA C&L Inventory.

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)

Hazard information

Regulatory Information · 3 items

Chemical: Benzoic acid, 2-methoxy-, ethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzoic acid, 2-methoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzoic acid, 2-methoxy-, ethyl ester: Environment tier I assessment

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Not Classified

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P