Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate

HCID 123548

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Basic information

CAS: 61292-90-8
Standard SMILES: CCOC(=O)CCc1ccc(O)c(OC)c1
InChIKey: XFJQZDADXNOFTQ-UHFFFAOYSA-N
Molecular formula: C12H16O4
Average molar mass: 224.25 g/mol
Monoisotopic mass: 224.10485899

Names & identifiers

Preferred name: Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate
IUPAC: ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
English name: Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate
Molecular formula: C12H16O4
Molecular weight: 224.25

Names & synonyms

61292-90-8Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionateEINECS 262-689-6DTXSID00210182RefChem:594685DTXCID00132673262-689-6Ethyl 3-(4-hydroxy-3-methoxyphenyl)propanoateEthyl-beta-(4-hydroxy-3-methoxy-phenyl)-propionateMFCD00017278Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate,Ethyl-.beta.-(4-hydroxy-3-methoxy-phenyl)-propionate

Show more names

Dihydroferulic acid ethyl3-(4-hydroxy-3-methoxyphenyl)pentanoatealpha,beta-Dihydroferulic acid, ethyl esterETHYL 3-(4-HYDROXY-4-METHOXYPHENYL)PROPIONATEETHYL-B-(4-HYDROXY-3-METHOXYPHENYL)-PROPIONATEEthyl 3-(4-hydroxy-3-methoxyphenyl)propiote, 99%

3-(4-hydroxy-3-methoxy-phenyl)-propionic acid ethyl esterEthyl Hydroferulate3-(4-hydroxy-3-methoxy-phenyl]-propionic acid ethyl esterSCHEMBL356300dihydroferulic acid ethyl esterCHEMBL228121AKOS015856209FE70479

Database identifiers

CAS: 61292-90-8
PubChem CID: 123548
DTXSID: DTXSID00210182
ChEMBL: CHEMBL228121
EC Number: 262-689-6
Nikkaji: J268.429B

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 217

Physicochemical properties

Boiling point: 128 °C · 128 °C
Density: 1 · 1,15 g/cm3
pka: 10.03 · 10.03±0.20(Predicted)
Specific Gravity: 1.15 · 1.15
CAS DataBase Reference: 61292 · 61292-90-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362