4-Benzyloxyphenylacetic acid

HCID 81033CAS 6547-53-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)Cc1ccc(OCc2ccccc2)cc1
InChIKey
XJHGAJLIKDAOPE-UHFFFAOYSA-N
Molecular formula
C15H14O3
Average molar mass
242.27 g/mol
Monoisotopic mass
242.09429431

Names & identifiers

Preferred name
4-Benzyloxyphenylacetic acid
IUPAC
2-(4-phenylmethoxyphenyl)acetic acid
English name
4-Benzyloxyphenylacetic acid
Molecular formula
C15H14O3
Molecular weight
242.27

Names & synonyms

4-Benzyloxyphenylacetic acid6547-53-1EINECS 229-463-9DTXSID80215791NSC 134561RefChem:518545DTXCID10138282229-463-92-(4-(benzyloxy)phenyl)acetic acid(4-Benzyloxy)phenylacetic acid2-(4-phenylmethoxyphenyl)acetic acid[4-(benzyloxy)phenyl]acetic acid
Show more names
NISTC6547531BUTTPARK 146\04-05RARECHEM AL BO 1522Atenolol Impurity 14tert-Amyl Alcohol LRBenzyloxyphenylaceticacid4-Benzyloxyphenylessigsurep-Benzyloxyphenylacetic Acid
Benzeneacetic acid, 4-(phenylmethoxy)-2-[4-(benzyloxy)phenyl]acetic acidMFCD000175404-Benzyloxyphenyl acetic acid4-(benzyloxy)phenylacetic acidBE5NH2G3DW2-(4-Phenylmethoxyphenyl)ethanoic AcidNSC-134561

Database identifiers

CAS
6547-53-1
PubChem CID
81033
DTXSID
DTXSID80215791
UNII
BE5NH2G3DW
EC Number
229-463-9
Nikkaji
J225.180I

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
18

Experimental & physicochemical properties

LogP2.85

Physicochemical properties

Melting point
119 · 119-123 °C (lit.)
Boiling point
418.8 · 418.8±25.0 °C(Predicted)
Density
1.201 · 1.201±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
Crystalline Powder
pka
4.44 · 4.44±0.10(Predicted)

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 5 reports by companies from 4 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
29189900
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses4-Benzyloxyphenylacetic Acid is an effective inflammation inhibitor.

General Description(4-Benzyloxy)phenylacetic acid is a para-substituted phenyl-acetic acid derivative. Its crystals belong to the triclinic crystal system. Molecules of (4-benzyloxy)phenylacetic acid exists in centrosymmetric dimeric forms linked by double hydrogen bonds between carboxyl groups.

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]

Related reactions

64 records
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Linked notes

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