Methyl 3-Hydroxyphenylacetate

HCID 39129CAS 42058-59-3

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)Cc1cccc(O)c1
InChIKey: AMDDOQIUPAINLH-UHFFFAOYSA-N
Molecular formula: C9H10O3
Average molar mass: 166.17 g/mol
Monoisotopic mass: 166.06299418

Names & identifiers

Preferred name: Methyl 3-Hydroxyphenylacetate
IUPAC: methyl 2-(3-hydroxyphenyl)acetate
English name: 3-Hydroxyphenylacetic acid methyl ester
Molecular formula: C9H10O3
Molecular weight: 166.17

Names & synonyms

42058-59-3METHYL 3-HYDROXYPHENYLACETATEDTXSID20194899RefChem:815515DTXCID10117390806-118-6methyl 2-(3-hydroxyphenyl)acetate3-Hydroxyphenylacetic Acid Methyl EsterMethyl 3-hydroxyphenyl acetateMFCD00017660Methyl (3-hydroxyphenyl)acetateBenzeneacetic acid, 3-hydroxy-, methyl ester

Show more names

Methyl 2-(3-hydroxyphenyl)Methyl 3-hydroxybenzeneacetateMethyl 2-(3-hydroxyphenyl)acetate 95%2-(3-Hydroxyphenyl)acetic acid methyl ester

Methyl m-hydroxyphenylacetate(3-Hydroxyphenyl)acetic acid methyl esterMethyl2-(3-Hydroxyphenyl)acetate3-hydroxybenzeneacetic acid methyl estermethyl-3-hydroxyphenylacetateSCHEMBL979023methyl 3 -hydroxyphenylacetatemethyl(3-hydroxyphenyl)acetate

Database identifiers

CAS: 42058-59-3
PubChem CID: 39129
DTXSID: DTXSID20194899
EC Number: 806-118-6
Nikkaji: J530.807K

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 156

Physicochemical properties

Boiling point: 146 °C/14mmHg · 146°C/14mmHg(lit.)
Density: 1.181 · 1.181±0.06 g/cm3(Predicted)
refractive index: 1.534 to · 1.5340 to 1.5380
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
pka: 9.61 · 9.61±0.10(Predicted)
color: Clear Colourless to Clear Pale Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H412
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P273-P501
Hazard Codes: Xn
Risk Statements: 22 · 22
HS Code: 2918290090 · 2918290090

Safety & regulation

Safety data

hs_code: 2918290090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H302-H412
Precautionary statements: P264-P270-P301+P312-P330-P501-P273-P501

Chemistry & industry

Applications

UsesMethyl 3-Hydroxyphenylacetate is a phenylacetic acid derivative and a CRTH2 and DP dual antagonist.

Upstream & downstream products

Upstream raw materials

3-Hydroxyphenylacetic acid Methanol 3'-Hydroxyacetophenone

Downstream products

m-Isobutyl ibuprofen Methyl 2-chloromethylbenzoate Methyl 3-((Trifluoromethylsulfonyl)oxy)phenylacetate

Suppliers50 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

Related reactions

117 records

New reaction record

HRID 19372 reaction equation

HRID 19372As reactantuspto-grants-2010_06

HRID 37129 reaction equation

HRID 37129As productuspto-grants-1995_05

HRID 95868 reaction equation

HRID 95868As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 133185 reaction equation

HRID 133185As productuspto-grants-2008_06

HRID 134397 reaction equation

HRID 134397As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 136852 reaction equation

HRID 136852As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 168811 reaction equation

HRID 168811As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 173847 reaction equation

HRID 173847As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Methyl 3-Hydroxyphenylacetate (HCID 39129)｜Huagongshe