Benzoic acid, 4-(2-hydroxyethoxy)-, methyl ester

HCID 76670

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3204-73-7
Standard SMILES: COC(=O)c1ccc(OCCO)cc1
InChIKey: VFBYWNSASHHPPA-UHFFFAOYSA-N
Molecular formula: C10H12O4
Average molar mass: 196.2 g/mol
Monoisotopic mass: 196.07355886

Names & identifiers

Preferred name: Benzoic acid, 4-(2-hydroxyethoxy)-, methyl ester
IUPAC: methyl 4-(2-hydroxyethoxy)benzoate
English name: 4-(2-Hydroxyethoxy)benzoic acid methyl ester
Molecular formula: C10H12O4
Molecular weight: 196.2

Names & synonyms

Methyl 4-(2-hydroxyethoxy)benzoate3204-73-7Benzoic acid, 4-(2-hydroxyethoxy)-, methyl ester9XG5332XHDEINECS 221-708-8AI3-23241DTXSID2062903METHYL 4-(.BETA.-HYDROXYETHOXY)BENZOATERefChem:565889DTXCID7038448METHYL 4-(BETA-HYDROXYETHOXY)BENZOATE4-(2-Hydroxyethoxy)benzoic Acid Methyl Ester

Show more names

AKOS B030709RARECHEM AL BF 0433Methyl4-(2-Hydroxyethoxy)benzoate>Hydroxyethoxybenzoicacidmethylester,98%4-(2-hydroxyethoxy)-benzoicacimethylester4-(2-Hydroxyethoxy)benzoic acid methyl ester,98%

MFCD00075872Methyl p-(2-hydroxyethoxy)benzoate25232-94-4Methyl4-(2-Hydroxyethoxy)benzoateUNII-9XG5332XHDSCHEMBL64651Methyl 4(2-hydroxyethoxy)benzoatemethyl 4-(2-hydroxyethoxyl)benzoate

Database identifiers

CAS: 3204-73-7
PubChem CID: 76670
DTXSID: DTXSID2062903
UNII: 9XG5332XHD
EC Number: 221-708-8
Nikkaji: J62.061K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 173

Physicochemical properties

Melting point: 66 °C · 66°C
Boiling point: 195 · 195-200 °C(Press: 3-5 Torr)
Density: 1.186 · 1.186±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 14.14 · 14.14±0.10(Predicted)
color: White to Almost white
FDA UNII: 9 XG5332XHD · 9XG5332XHD
EPA Substance Registry System: 4 · Benzoic acid, 4-(2-hydroxyethoxy)-, methyl ester (3204-73-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H412
Precautionary statements: 273 · P273-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-52-36
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HS Code: 2918999090 · 2918999090

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

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