Ethyl (3-Hydroxyphenyl)acetate

HCID 572437

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Basic information

CAS: 22446-38-4
Standard SMILES: CCOC(=O)Cc1cccc(O)c1
InChIKey: NSQBADKMIYCCSC-UHFFFAOYSA-N
Molecular formula: C10H12O3
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.07864424

Names & identifiers

Preferred name: Ethyl (3-Hydroxyphenyl)acetate
IUPAC: ethyl 2-(3-hydroxyphenyl)acetate
English name: ethyl 3-hydroxyphenylacetate
Molecular formula: C10H12O3
Molecular weight: 180.2

Names & synonyms

Ethyl (3-hydroxyphenyl)acetateRefChem:593081834-774-3ethyl 2-(3-hydroxyphenyl)acetate22446-38-4ETHYL 3-HYDROXYPHENYLACETATEMFCD07369387(3-Hydroxyphenyl)acetic Acid Ethyl EsterBenzeneacetic acid, 3-hydroxy-, ethyl ester3-Hydroxyphenylacetic acid ethyl esterethyl 3-hydoxyphenylacetateethyl(3-hydroxyphenyl)acetate

Show more names

3-Hydroxy-benzeneacetic Acid Ethyl EsterBenzeneaceticacid, 3-hydroxy-, ethyl ester

Acetic acid, (m-hydroxyphenyl)-, ethyl esterDS-8512CS-0030409E1242SCHEMBL905142ethyl2-(3-hydroxyphenyl)acetateDTXSID20341346Ethyl (3-hydroxyphenyl)acetate #

Database identifiers

CAS: 22446-38-4
PubChem CID: 572437
DTXSID: DTXSID20341346
EC Number: 834-774-3
Nikkaji: J101.860D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 168

Physicochemical properties

Boiling point: 179 °C/12mmHg · 179°C/12mmHg(lit.)
Density: 1.146 · 1.146±0.06 g/cm3(Predicted)
refractive index: 1.522 to · 1.5220 to 1.5270
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Dichloromethane, Ethyl Acetate, Toluene
pka: 9.75 · 9.75±0.10(Predicted)
form: clear liquid
color: Light yellow to Yellow to Orange
Stability: Store in Freezer
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2918290090 · 2918290090

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.