CAS 30379-55-6 (Benzyloxy)acetic acid (HCID 290301)

Overview

(benzyloxy)acetic acid is a monocarboxylic acid that is benzyl alcohol in which the hydroxy group is replaced by a carboxymethoxy group. It is a member of benzenes, a monocarboxylic acid and an ether. It is functionally related to a glycolic acid and a benzyl alcohol.

Names & identifiers

Preferred name: (Benzyloxy)acetic acid
IUPAC: 2-phenylmethoxyacetic acid
English name: Benzyloxyacetic acid
Molecular formula: C9H10O3
Molecular weight: 166.17

Names & synonyms

Benzyloxyacetic acid30379-55-62-(benzyloxy)acetic acid(benzyloxy)acetic acidacetic acid, (phenylmethoxy)-2-benzyloxyacetic acid2-(phenylmethoxy)acetic acidphenylmethoxyacetic acidglycolic acid-benzyl etherCHEBI:180539DTXSID30952720RefChem:69874

Show more names

oxy)acetic acidRARECHEM AL BE 0628benzyloxy acctic acidBenzyloxyaceticAcid>Benzyloxyacetic acid 95%PHENYLMETHOXY ACETIC ACIDBenzyloxyacetic acid, 95%,

DTXCID901380797608-470-4InChI=1/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,112-phenylmethoxyacetic acidACETIC ACID, 2-(PHENYLMETHOXY)-MFCD00274211O1Jbenzyloxy acetic acid

Database identifiers

CAS: 30379-55-6
PubChem CID: 290301
DTXSID: DTXSID30952720
ChEMBL: CHEMBL3247413
ChEBI: CHEBI:180539
EC Number: 608-470-4
Nikkaji: J783.827A

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 139

Physicochemical properties

Melting point: 80 · 80-81 °C
Boiling point: 137 · 137-139 °C/0.6 mmHg (lit.)
Density: 1.162 g/mL · 1.162 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.526(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
pka: 3.52 · 3.52±0.10(Predicted)
color: Colorless to Light orange to Yellow
InChI: InChI=1S/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey: GRZHHTYDZVRPIC-UHFFFAOYSA-N
SMILES: C(O)(=O)COCC1=CC=CC=C1
CAS DataBase Reference: 30379 · 30379-55-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29189900 · 29189900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 46 reports by companies from 7 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 ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29189900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

UsesBenzyloxyacetic acid may be used for the following syntheses:mixed benzyloxyacetic pivalic anhydridechiral glycolates, 1,2:4,5-di-O-isopropylidene-β-D-fructopyranos-3-yl benzyloxyacetate, via esterificationtetraaqua(1,10-phenanthroline-[κ]2N,N′)magnesium(II) bis[(2,4-dichlorophenyl)acetate]as ligand in the preparation of diaquabis(benzyloxyacetato)copper(II) complex

UsesIt is a compound for proteomics research use. It may be used for following synthesis mixed benzyloxyacetic pivalic anhydride, chiral glycolates, 1,2:4,5-di-O-isopropylidene-β-D-fructopyranos-3-yl benzyloxyacetate, via esterification, tetra aqua(1,10-phenanthroline-[κ]2N,N)magnesium(II) bis[(2,4-dichlorophenyl)acetate], as ligand in the preparation of diaquabis(benzyloxyacetato)copper(II) complex.

General DescriptionIn vitro activities of phenoxy and benzyloxyacetic acid derivatives as antisickling agents has been investigated by the application of quantitative structure activity relationship (QSAR) of Hansch-type.

Upstream & downstream products

Upstream raw materials

Downstream products

1-Bromo-4-chlorobutane methyl 2-(benzyloxy)acetate 5-(benzyloxy)-2,4-dichloropyrimidine Benzyloxyacetyl chloride

Suppliers100 total

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]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Additional notes · 1 item

DefinitionChEBI: (benzyloxy)acetic acid is a monocarboxylic acid that is benzyl alcohol in which the hydroxy group is replaced by a carboxymethoxy group. It is a monocarboxylic acid, an ether and a member of benzenes. It is functionally related to a benzyl alcohol and a glycolic acid.