Methyl 4-(1-methylethoxy)benzoate

HCID 3015807CAS 35826-59-6

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Basic information

Standard SMILES: COC(=O)c1ccc(OC(C)C)cc1
InChIKey: ROEMZKPINYTSKV-UHFFFAOYSA-N
Molecular formula: C11H14O3
Average molar mass: 194.23 g/mol
Monoisotopic mass: 194.09429431

Names & identifiers

Preferred name: Methyl 4-(1-methylethoxy)benzoate
IUPAC: methyl 4-propan-2-yloxybenzoate
English name: 4-Isopropoxybenzoic acid methyl ester
Molecular formula: C11H14O3
Molecular weight: 194.23

Names & synonyms

Methyl 4-IsopropoxybenzoateMethyl 4-(1-methylethoxy)benzoatemethyl 4-propan-2-yloxybenzoateECL9D55WCFMETHYL P-ISOPROPOXYBENZOATEEINECS 252-740-0Benzoic acid, 4-(1-methylethoxy)-, methyl esterDTXSID20189361RefChem:157553DTXCID5011185235826-59-64-Isopropoxybenzoic Acid Methyl Ester

Show more names

RARECHEM AL BF 0294Safinamide Impurity 45Methyl4-Isopropoxybenzoate>METHYL 4-ISO-PROPYLOXYBENZOATE4-propan-2-yloxybenzoic acid methyl ester

MFCD00084855UNII-ECL9D55WCF4-Isopropoxy-benzoic acid methyl esterMethyl 4-iso-propyloxybenzoatemethyl 4-(propan-2-yloxy)benzoate4-(1-Methylethoxy)benzoic acid methyl esterp-isopropoxy methyl benzoateSCHEMBL1854840

Database identifiers

CAS: 35826-59-6
PubChem CID: 3015807
DTXSID: DTXSID20189361
UNII: ECL9D55WCF
EC Number: 252-740-0
Nikkaji: J319.537F

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 181

Physicochemical properties

refractive index: 1.521 · 1.5210-1.5250
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
FDA UNII: 9 D55WCF · ECL9D55WCF
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H302-H335-H227-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2918999090 · 2918999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

hs_code: 2918999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H302-H335-H227-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P