(Benzyloxy)acetic acid (HCID 290301)

개요

(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.

이름 및 식별자

우선 이름: (Benzyloxy)acetic acid
IUPAC: 2-phenylmethoxyacetic acid
영어명: Benzyloxyacetic acid
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 139

물리화학적 성질

녹는점: 80 · 80-81 °C
끓는 점: 137 · 137-139 °C/0.6 mmHg (lit.)
밀도: 1.162 g/mL · 1.162 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.526(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 3.52 · 3.52±0.10(Predicted)
색상: 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

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29189900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도Benzyloxyacetic 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

일반 설명In 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.