(3,5-Dimethoxyphenyl)acetic acid

HCID 138316CAS 4670-10-4
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(CC(=O)O)cc(OC)c1
InChIKey
FFPAFDDLAGTGPQ-UHFFFAOYSA-N
Molecular formula
C10H12O4
Average molar mass
196.2 g/mol
Monoisotopic mass
196.07355886

Overview

2-(3,5-dimethoxyphenyl)acetic acid is a dimethoxybenzene.

Names & identifiers

Preferred name
(3,5-Dimethoxyphenyl)acetic acid
IUPAC
2-(3,5-dimethoxyphenyl)acetic acid
English name
3,5-DIMETHOXYPHENYLACETIC ACID
Molecular formula
C10H12O4
Molecular weight
196.2

Names & synonyms

(3,5-dimethoxyphenyl)acetic acidbenzeneacetic acid, 3,5-dimethoxy-RefChem:399382625-977-6923-817-2InChI=1/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,123,5-Dimethoxyphenylacetic acid4670-10-42-(3,5-dimethoxyphenyl)acetic acidMFCD00016827SCHEMBL3473523,5-dimethoxy-phenylacetic acid
Show more names
0/4/703,5-DimethoxyTIMTEC-BB SBB006648RARECHEM AL BO 03393,5-DIMETHOXYPHENYLACET3,5-Dimethoxybenzeneacetic acid3,5-DimethoxyphenylaceticAcid>Benzeneacetic acid, 3,5-diMethoxy-3,5-Dimethoxyphenylacetic acid 97+%
3,5-dimethoxyphenyl acetic acidDTXSID60196918(3,5-dimethoxy)phenylacetic acid3,5-Dimethoxy phenyl acetic acidCHEBI:1939902-(3,5-dimethoxyphenyl)aceticacid(3,5-Dimethoxy-phenyl)acetic acidSBB006648

Database identifiers

CAS
4670-10-4
PubChem CID
138316
DTXSID
DTXSID60196918
ChEBI
CHEBI:193990
EC Number
625-977-6、923-817-2
Nikkaji
J2.372.549E

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
102 · 102-103 °C(lit.)
Boiling point
293.08 °C · 293.08°C (rough estimate)
Density
1.2166 · 1.2166 (rough estimate)
refractive index
1.543 · 1.5430 (estimate)
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (13.3%): 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 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (13.3%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29189900
risk_code
36/37/38-36/37
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses3,5-Dimethoxyphenylacetic Acid is a general reactant/reagent used in the synthesis of a recyclable, immobilized analogue of Benzotetramisole.

General Description(3,5-Dimethoxyphenyl)acetic acid is a carboxylic acid. Its physical properties like density, freezing point, boiling point and refractive index have been determined.

Upstream & downstream products

Suppliers50 total

常州市弘裕化工有限公司0519-89996110 13813691203 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes

DefinitionChEBI: 2-(3,5-dimethoxyphenyl)acetic acid is a dimethoxybenzene.

Related reactions

25 records
New reaction record

Linked notes

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