1-에틸렌사이클로헥센

1-Ethynylcyclohexene

HCID 79128CAS 931-49-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C#CC1=CCCCC1
InChIKey: DKFHWNGVMWFBJE-UHFFFAOYSA-N
분자식: C8H10
평균 분자량: 106.16 g/mol
단동위원소 질량: 106.07825032

개요

structure in first source

이름 및 식별자

우선 이름: 1-Ethynylcyclohexene
IUPAC: 1-ethynylcyclohexene
현지명: 1-에틸렌사이클로헥센
영어명: 1-Ethynylcyclohexene
분자식: C8H10
분자량: 106.17

이름 및 동의어

1-ethynylcyclohexene931-49-7Cyclohexene, 1-ethynyl-1-ethynyl-1-cyclohexene7TJ42SRP2ZDTXSID5073244RefChem:432735DTXCID9048855618-915-41-ethynylcyclohex-1-eneethynylcyclohexeneMFCD00001568

이름 더 보기

1-에틸렌사이클로헥센TIMTEC-BB SBB0026481-ethynyl-cyclohexen1-ethvnvlcvclohexene1-Cyclohexenylacetylene1-(1-Cyclohexenyl)ethyne

(1-Cyclohexenyl)acetyleneUNII-7TJ42SRP2Z1-ETHYNYL-CYCLOHEXENEcyclohexenylacetylene1-Ethynylcyclohexene, 99%CYCLOHEX-1-ENYLACETYLENESY045891F14623

데이터베이스 식별자

CAS: 931-49-7
PubChem CID: 79128
DTXSID: DTXSID5073244
ChEMBL: CHEMBL232741
UNII: 7TJ42SRP2Z
EC Number: 618-915-4
Nikkaji: J329.372F

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 143

실험 및 물리화학적 성질

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

물리화학적 성질

끓는 점: 148 · 148-151 °C(lit.)
밀도: 0.903 g/mL · 0.903 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.496(lit.)
인화점: 85 °F · 85 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
InChI: 1S/C8H10/c1-2-8-6-4-3-5-7-8/h1,6H,3-5,7H2
InChIKey: DKFHWNGVMWFBJE-UHFFFAOYSA-N
SMILES: C#CC1=CCCCC1
EPA: 1 · Cyclohexene, 1-ethynyl- (931-49-7)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Cyclohexene, 1-ethynyl-

Cyclohexene, 1-ethynyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)