1-비닐사이클로헥산올97

1-Vinylcyclohexyl alcohol

HCID 74741CAS 1940-19-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CC1(O)CCCCC1
InChIKey: ZXKHOVDDJMJXQP-UHFFFAOYSA-N
분자식: C8H14O
평균 분자량: 126.2 g/mol
단동위원소 질량: 126.10446507

이름 및 식별자

우선 이름: 1-Vinylcyclohexyl alcohol
IUPAC: 1-ethenylcyclohexan-1-ol
현지명: 1-비닐사이클로헥산올97
영어명: 1-Vinylcyclohexanol 97
분자식: C8H14O
분자량: 126.2

이름 및 동의어

1-Vinylcyclohexanol1940-19-81-Vinylcyclohexyl alcoholCyclohexanol, 1-vinyl-Cyclohexanol, 1-ethenyl-1-Ethenylcyclohexanol1-Ethenyl-cyclohexanol1-vinyl-1-cyclohexanol1-Vinylcyclohexan-1-ol1-Vinyl-cyclohexanol-(1)EINECS 217-718-71-Vinyl-cyclohexanol-(1) [German]

이름 더 보기

1-비닐사이클로헥산올971-vinyl-cyclohexano1-Vinylcyclohexanol 971-Vinylcyclohexanol ,50%1-Ethenylcyclohexan-1-ol1-vinylcyclohexylalcohol

NSC 62184BRN 13056599B9NGC979XAI3-25140NSC-62184DTXSID301730194-06-00-00222 (Beilstein Handbook Reference)1-HYDROXY-1-VINYLCYCLOHEXANE

데이터베이스 식별자

CAS: 1940-19-8
PubChem CID: 74741
DTXSID: DTXSID30173019
UNII: 9B9NGC979X
EC Number: 217-718-7
Nikkaji: J55.437E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 101

물리화학적 성질

녹는점: 4 °C · 4 °C
끓는 점: 74 °C19 · 74 °C19 mm Hg(lit.)
밀도: 0.942 g/mL · 0.942 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.478(lit.)
인화점: 158 °F · 158 °F
산도 계수 (pKa): 14.56 · 14.56±0.20(Predicted)
InChI: 1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2
InChIKey: ZXKHOVDDJMJXQP-UHFFFAOYSA-N
SMILES: OC1(CCCCC1)C=C

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: GW0890000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-35354
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도1-Vinyl cyclohexanol may be used to synthesize:1-vinyl-1-cyclohexene1-vinyl-1-cyclohexylacrylatecyclohexylideneacetaldehyde

일반 설명1-Vinyl cyclohexanol, also known as 1-vinyl-1-cyclohexanol, is a tertiary allylic alcohol. It can be synthesized from cyclohexanone and vinyl chloride. It can undergo transition-metal-free tandem allylic borylation in the presence of B2pin [bis(pinacolato)diboron], Cs2CO3, THF and MeOH to yield triborated product. Pd-fullerite catalysts have been prepared which effectively catalyzes the hydrogenation of 1-ethynyl-1-cyclohexanol to 1-vinyl-1-cyclohexanol.