4-Methoxyphenoxyacetic acid

HCID 74649
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1877-75-4
Standard SMILES
COc1ccc(OCC(=O)O)cc1
InChIKey
BHFSBJHPPFJCOS-UHFFFAOYSA-N
Molecular formula
C9H10O4
Average molar mass
182.17 g/mol
Monoisotopic mass
182.0579088

Names & identifiers

Preferred name
4-Methoxyphenoxyacetic acid
IUPAC
2-(4-methoxyphenoxy)acetic acid
English name
4-Methoxyphenoxyacetic acid
Molecular formula
C9H10O4
Molecular weight
182.17

Names & synonyms

2-(4-Methoxyphenoxy)acetic acid1877-75-44-Methoxyphenoxyacetic acidAcetic acid, (4-methoxyphenoxy)-(p-Methoxyphenoxy)acetic acidNSC 4255EINECS 217-513-2NSC 45652Acetic acid, 2-(4-methoxyphenoxy)-AI3-10592DTXSID2062030RefChem:99662
Show more names
AKOS BB/0049AKOS BBS-00003727RARECHEM AL BO 03212-(4-methoxyphenoxy)acetate(4-methoxyphenoxy)-aceticaci4-Methoxyphenyloxyacetic acid2-(4-methoxyphenoxy)aceticaci4-Methoxyphenoxyacetic acid,97%
DTXCID3035921BHFSBJHPPFJCOS-UHFFFAOYSA-N(4-Methoxyphenoxy)acetic acidP-methoxyphenoxyacetic acidAcetic acid, (p-methoxyphenoxy)-MFCD00014360Cambridge id 5163559TimTec1_002918

Database identifiers

CAS
1877-75-4
PubChem CID
74649
DTXSID
DTXSID2062030
ChEMBL
CHEMBL3247397
EC Number
217-513-2
Nikkaji
J199.690H

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
112 · 112-114 °C
Boiling point
275.56 °C · 275.56°C (rough estimate)
Density
1.2481 · 1.2481 (rough estimate)
refractive index
1.4345 · 1.4345 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
1 · pK1:3.213 (25°C)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (13%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (87%)；Skin Irrit. 2 (15.2%)；Eye Irrit. 2 (15.2%)；STOT SE 3 (13%)

Safety data

tsca
TSCA listed
hs_code
29189990
risk_code
44-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetic acid, 2-(4-methoxyphenoxy)-: INACTIVE

Applications

Uses2-(4-Methoxyphenoxy)acetic Acid is a useful research chemical, a metabolite of mefexamide in human urine samples.

Upstream & downstream products

Suppliers72 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

43 records
New reaction record

Compound notes

Loading…