벤질3-하이드록시-2,2-다이메틸프로파노에이트

Benzyl 3-hydroxy-2,2-dimethylpropanoate

HCID 18922595

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17701-61-0
표준 SMILES: CC(C)(CO)C(=O)OCc1ccccc1
InChIKey: PLZZXRKTRWITII-UHFFFAOYSA-N
분자식: C12H16O3
평균 분자량: 208.25 g/mol
단동위원소 질량: 208.10994437

이름 및 식별자

우선 이름: Benzyl 3-hydroxy-2,2-dimethylpropanoate
IUPAC: benzyl 3-hydroxy-2,2-dimethylpropanoate
현지명: 벤질3-하이드록시-2,2-다이메틸프로파노에이트
영어명: Benzyl 3-hydroxy-2,2-dimethylpropanoate
분자식: C12H16O3
분자량: 208.25

이름 및 동의어

BENZYL 3-HYDROXY-2,2-DIMETHYLPROPANOATE17701-61-0DTXSID90596508RefChem:328469DTXCID70547270888-227-9benzyl 3-hydroxy-2,2-dimethylpropionateMFCD09951815Propanoic acid, 2-(hydroxymethyl)-2-methyl-, phenylmethyl esterbenzyl 3-hydroxy-2,2-dimethyl-propanoateBenzyl HydroxypivalateSCHEMBL621696

이름 더 보기

벤질3-하이드록시-2,2-다이메틸프로파노에이트Benzyl 2,2-dimethyl-3-hydroxypropanoatebenzyl 2,2-dimethyl-3-hydroxypropanoic acid2,2-dimethyl-3-hydroxypropanoic acidbenzyl esterPropanoic acid, 3-hydroxy-2,2-dimethyl-, phenylmethyl ester

3-Hydroxy-2,2-dimethyl-propionic acid benzyl esterPLZZXRKTRWITII-UHFFFAOYSA-NSAA70161AKOS026673551DS-9883s10582DA-35091SY040453

데이터베이스 식별자

CAS: 17701-61-0
PubChem CID: 18922595
DTXSID: DTXSID90596508
EC Number: 888-227-9
Nikkaji: J3.493.000G

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 205

물리화학적 성질

끓는 점: 117 · 117-118 °C(Press: 0.1 Torr)
밀도: 1.1 · 1.100±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.16 · 14.16±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.