(3,5-디메틸-4-이속사졸릴)메탄올

3,5-Dimethyl-4-(hydroxymethyl)isoxazole

HCID 289575CAS 19788-36-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1noc(C)c1CO
InChIKey: JISPGFYJPXGNBY-UHFFFAOYSA-N
분자식: C6H9NO2
평균 분자량: 127.14 g/mol
단동위원소 질량: 127.06332853

이름 및 식별자

우선 이름: 3,5-Dimethyl-4-(hydroxymethyl)isoxazole
IUPAC: (3,5-dimethyl-1,2-oxazol-4-yl)methanol
현지명: (3,5-디메틸-4-이속사졸릴)메탄올
영어명: (3,5-Dimethyl-4-isoxazolyl)methanol
분자식: C6H9NO2
분자량: 127.14

이름 및 동의어

3,5-Dimethyl-4-(hydroxymethyl)isoxazoleRefChem:486982675-576-519788-36-4(3,5-Dimethyl-4-isoxazolyl)methanol(3,5-dimethylisoxazol-4-yl)methanol(3,5-dimethyl-1,2-oxazol-4-yl)methanol4-Isoxazolemethanol, 3,5-dimethyl-MFCD004642263,5-dimethyl-4-hydroxymethylisoxazole(3,5-Dimethyl-isoxazol-4-yl)-methanol3,5-dimethyl-4-hydroxymethyl-isoxazole

이름 더 보기

(3,5-디메틸-4-이속사졸릴)메탄올BUTTPARK 97\06-59RARECHEM AL BD 05163,5-Dimethylisoxazole-4-methanol4-hydroxymethyl-3,5-dimethylisoxazole

(3,5-dimethylisoxazol-4-yl)methan-1-ol(dimethyl-1,2-oxazol-4-yl)methanol3,5-Dimethyl-4-isoxazolemethanolNSC151752A1EHPSCHEMBL96070SCHEMBL96071AKOS PAO-1564

데이터베이스 식별자

CAS: 19788-36-4
PubChem CID: 289575
DTXSID: DTXSID80302519
EC Number: 675-576-5
Nikkaji: J45.081B

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

물리화학적 성질

녹는점: 76 °C · 76 °C
끓는 점: 96 · 96-97
밀도: 1.137 · 1.137±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
물리적 상태: 고체
산도 계수 (pKa): 13.65 · 13.65±0.10(Predicted)
색상: 오프 화이트

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.