3-Hydroxycyclobutyl 2,2-dimethylpropanoate

HCID 57515871

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1089709-03-4
표준 SMILES: CC(C)(C)C(=O)OC1CC(O)C1
InChIKey: AOWHHZSWFRKEHL-UHFFFAOYSA-N
분자식: C9H16O3
평균 분자량: 172.22 g/mol

이름 및 식별자

우선 이름: 3-Hydroxycyclobutyl 2,2-dimethylpropanoate
IUPAC: (3-hydroxycyclobutyl) 2,2-dimethylpropanoate
영어명: 3-Hydroxycyclobutyl Pivalate
분자식: C9H16O3
분자량: 172.22

이름 및 동의어

1089709-03-43-HYDROXYCYCLOBUTYL 2,2-DIMETHYLPROPANOATERefChem:502544828-170-93-hydroxycyclobutyl pivalate1932016-87-9cis-3-hydroxycyclobutyl 2,2-dimethylpropanoate3-Hydroxylcyclobutyl pivalate(3-hydroxycyclobutyl) 2,2-dimethylpropanoate(1s,3s)-3-hydroxycyclobutyl 2,2-dimethylpropanoateMFCD27955486CIS-3-HYDROXYCYCLOBUTYL PIVALATE

이름 더 보기

3-Hydroxycyclobutyl Pivalate(WXC01277)Propanoic acid, 2,2-dimethyl-, 3-hydroxycyclobutyl ester

MFCD284054983-hydroxycyclobutylpivalateSCHEMBL1795982SCHEMBL17801335AOWHHZSWFRKEHL-UHFFFAOYSA-NAKOS027253499AS-59557DB-315451

데이터베이스 식별자

CAS: 1089709-03-4
PubChem CID: 57515871
EC Number: 828-170-9

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 175

물리화학적 성질

끓는 점: 218.8 · 218.8±15.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
산도 계수 (pKa): 14.48 · 14.48±0.40(Predicted)

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)

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