CAS 65302-98-9 2-Hydroxy-4,4-dimethylpentanoic acid (HCID 22709417)

기본 정보

CAS: 65302-98-9
표준 SMILES: CC(C)(C)CC(O)C(=O)O
InChIKey: OPBFFNZNNJKRCS-UHFFFAOYSA-N
분자식: C7H14O3
평균 분자량: 146.18 g/mol
단동위원소 질량: 146.09429431

이름 및 식별자

우선 이름: 2-Hydroxy-4,4-dimethylpentanoic acid
IUPAC: 2-hydroxy-4,4-dimethylpentanoic acid
영어명: 2-Hydroxy-4,4-dimethylpentanoic acid
분자식: C7H14O3
분자량: 146.18426

이름 및 동의어

2-hydroxy-4,4-dimethylpentanoic acid65302-98-9DTXSID90627664RefChem:261688DTXCID60578417894-231-1Pentanoic acid, 2-hydroxy-4,4-dimethyl-2-hydroxy-4,4-dimethyl-pentanoic acidSCHEMBL1623666OPBFFNZNNJKRCS-UHFFFAOYSA-NQCA302982-hydroxy-4,4-dimethylpentanoicacid

이름 더 보기

MFCD17254932AKOS012249486DA-03903CS-0223479(+/-)-4,4-Dimethyl-2-hydroxypentanoic AcidEN300-115477G49658Z1041195612

데이터베이스 식별자

CAS: 65302-98-9
PubChem CID: 22709417
DTXSID: DTXSID90627664
EC Number: 894-231-1

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 123

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.