3-(o-Methoxyphenyl)propionic acid

HCID 80652CAS 25173-35-7
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1CCC(=O)O
InChIKey
XSZSNLOPIWWFHS-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Overview

3-(2-Methoxyphenyl)propanoic acid is a member of benzenes and a monocarboxylic acid.

Names & identifiers

Preferred name
3-(o-Methoxyphenyl)propionic acid
IUPAC
3-(2-methoxyphenyl)propanoic acid
English name
3-(2-Methoxyphenyl)propionic acid
Molecular formula
C10H12O3
Molecular weight
180.2

Names & synonyms

3-(o-Methoxyphenyl)propionic acidEINECS 228-738-0NSC 46646RefChem:495703228-738-03-(2-Methoxyphenyl)propanoic acid6342-77-43-(2-Methoxyphenyl)propionic acidBenzenepropanoic acid, 2-methoxy-2-Methoxyhydrocinnamic acido-Methoxyhydrocinnamic acidMFCD00002772
Show more names
AKOS BC-27063-(2-MethoxyphenylTIMTEC-BB SBB0037493-(2-methoxyphenyl)propanoate2-Methoxybenzenepropionic acidBenzenpropionic acid, 2-methoxy
2-Methoxybenzenepropanoic acidX9F3ZLH6C7NSC-46646guaiacylpropionic acid2-METHOXY-BENZENEPROPANOIC ACIDMaybridge1_000611UNII-X9F3ZLH6C7SCHEMBL362209

Database identifiers

CAS
25173-35-7、6342-77-4
PubChem CID
80652
DTXSID
DTXSID20901606
ChEMBL
CHEMBL1901006
ChEBI
CHEBI:194956
UNII
X9F3ZLH6C7
EC Number
228-738-0
Nikkaji
J206.947D

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
85 · 85-87 °C (lit.)
Boiling point
273.02 °C · 273.02°C (rough estimate)
Density
1.1272 · 1.1272 (rough estimate)
refractive index
1.516 · 1.5160 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
1 · pK1:4.804 (25°C)

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29189990
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25

Chemistry & industry

Upstream & downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Additional notes

DefinitionChEBI: 3-(2-Methoxyphenyl)propanoic acid is a monocarboxylic acid and a member of benzenes.

Related reactions

19 records
New reaction record

Linked notes

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