2-Methoxyphenylacetic acid

HCID 7134CAS 93-25-4
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1CC(=O)O
InChIKey
IVEWTCACRDEAOB-UHFFFAOYSA-N
Molecular formula
C9H10O3
Average molar mass
166.17 g/mol
Monoisotopic mass
166.06299418

Names & identifiers

Preferred name
2-Methoxyphenylacetic acid
IUPAC
2-(2-methoxyphenyl)acetic acid
English name
2-Methoxyphenylacetic acid
Molecular formula
C9H10O3
Molecular weight
166.17

Names & synonyms

2-Methoxyphenylacetic acid93-25-4Benzeneacetic acid, 2-methoxy-(2-Methoxyphenyl)acetic acidEINECS 202-231-4NSC 110708DTXSID0059083RefChem:87940(oMethoxyphenyl)acetic acidBenzeneacetic acid, 2methoxyAcetic acid, (omethoxyphenyl)DTXCID1048833
Show more names
Ortho2-(2-methoxyphenyl)acetateNSC 162572-TOLYLACETIC ACIDRARECHEM AL BO 0116RARECHEM AL BO 0118o-Anisylacetic acid.2-Methoxyphenylacetio-Methoxy-α-toluic acid
Acetic acid, (omethoxyphenyl) (8CI)202-231-4InChI=1/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11IVEWTCACRDEAOB-UHFFFAOYSA-N2-(2-methoxyphenyl)acetic acid2-methoxyphenylaceticacidAcetic acid, (o-methoxyphenyl)-(o-Methoxyphenyl)acetic acid

Database identifiers

CAS
93-25-4
PubChem CID
7134
DTXSID
DTXSID0059083
ChEMBL
CHEMBL5399335
UNII
DWF2D897KB
EC Number
202-231-4
Nikkaji
J100.253H

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Organic Acids
SpringerMaterials PropertiesChemical shift
Physical DescriptionWhite powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
122 · 122-125 °C (lit.)
Boiling point
254.38 °C · 254.38°C (rough estimate)
Density
1.1708 · 1.1708 (rough estimate)
refractive index
1.5101 · 1.5101 (estimate)
Flash point
117 °C · 117°C (External MSDS)
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.9%): 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzeneacetic acid, 2-methoxy-

Benzeneacetic acid, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Phenylacetic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29189090
risk_code
36/37/38
Signal word
Danger

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneacetic acid, 2-methoxy-: ACTIVE

Applications

Uses2-Methoxyphenylacetic acid is used as pharmaceutical intermediate.

General DescriptionThe cytotoxic potential of 2-methoxyphenylacetic acid was studied.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

Related reactions

107 records
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Linked notes

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