3,3-다이메틸-1,2-에폭시부탄

2-tert-Butyloxirane

HCID 92174CAS 2245-30-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)C1CO1
InChIKey: HEAYDCIZOFDHRM-UHFFFAOYSA-N
분자식: C6H12O
평균 분자량: 100.16 g/mol
단동위원소 질량: 100.088815

이름 및 식별자

우선 이름: 2-tert-Butyloxirane
IUPAC: 2-tert-butyloxirane
현지명: 3,3-다이메틸-1,2-에폭시부탄
영어명: 3,3-Dimethyl-1,2-epoxybutane
분자식: C6H12O
분자량: 100.16

이름 및 동의어

3,3-Dimethyl-1,2-epoxybutane2-tert-Butyloxiranetert-Butyloxirane1,1-Dimethylethyl-oxiraneEINECS 218-831-4NSC 356829Oxirane, 2-(1,1-dimethylethyl)-RefChem:267171218-831-4HEAYDCIZOFDHRM-UHFFFAOYSA-N2245-30-9tert-Butylethylene oxide

이름 더 보기

3,3-다이메틸-1,2-에폭시부탄Nsc356829NISTC22453093,3-Dimethyl-2-epoxybutane2-(1,1-Dimethylethyl)oxirane

3,3-Dimethylbutene oxideMFCD000515902-(tert-butyl)oxiraneOxirane, (1,1-dimethylethyl)-3,3-dimethyl-1-butene oxide1,2-epoxy-3,3-dimethylbutane(+/-)-2-(tert-Butyl)oxiraneButane, 1,2-epoxy-3,3-dimethyl-

데이터베이스 식별자

CAS: 2245-30-9
PubChem CID: 92174
DTXSID: DTXSID001020954
UNII: Y989ZTU93M
EC Number: 218-831-4
Nikkaji: J213.137D

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 12.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 70.7

물리화학적 성질

끓는 점: 95 · 95-96°C
밀도: 0 · 0,822 g/cm3
굴절률: 1.401 · 1.4010
인화점: -1 °C · -1°C
물리적 상태: 액체
색상: 무색
BRN: 102478 · 102478
InChI: InChI=1S/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3
InChIKey: HEAYDCIZOFDHRM-UHFFFAOYSA-N
SMILES: O1CC1C(C)(C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (85.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Oxirane, (1,1-dimethylethyl)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 2 (85.7%)

안전 데이터

wgk: WGK 3
ridadr: 1993
HS 번호: 2910900090
risk_code: 11-36/37/38-22
hazard_code: Xn
safety_code: 16-23-33-36
포장분류: II
위험 등급: 3
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요3,3-Dimethyl-1,2-epoxybutane is a hydrocarbon organic compound that can be synthesised by the high-temperature reaction of isopropyl chloride with excess styrene in organic solvents and purified by distillation and recrystallisation.3,3-Dimethyl-1,2-epoxybutane reacts with alkyl halides to form a homologous series of epoxides. It also reacts stereoselectively with aldehydes and ketones.

용도3,3-Dimethyl-1,2-epoxybutane is used as pharm and intermediates.