기본 정보
- CAS
2160-94-3- 표준 SMILES
OCC1(CO)CC=CCC1- InChIKey
YXEBFFWTZWGHEY-UHFFFAOYSA-N- 분자식
- C8H14O2
- 평균 분자량
- 142.2 g/mol
- 단동위원소 질량
- 142.09937969
이름 및 식별자
- 우선 이름
- 3-Cyclohexene-1,1-dimethanol
- IUPAC
- [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
- 영어명
- 3-Cyclohexene-1,1-dimethanol
- 분자식
- C8H14O2
- 분자량
- 142.2
이름 및 동의어
3-CYCLOHEXENE-1,1-DIMETHANOL2160-94-31,1-Bis(hydroxymethyl)-3-cyclohexene4,4-Bis(hydroxymethyl)cyclohexeneCyclohex-2-ene-1,1-dimethanolEINECS 218-481-2NSC 112688BRN 2040659DTXSID401759683-06-00-04131 (Beilstein Handbook Reference)RefChem:500714DTXCID2098459
이름 더 보기
3-Cyclohexane-1,1-dimethanol3-Cyclohexene-1,1-bismethanol1-Cyclohexene-4,4-bismethanol3-Cyclohexene-1.1-dimethanol 1G3-Cyclohexene-1,1-dimethanol,98%3-CYCLOHEXENE-1,1-DIMETHANOL 98%3-cyclohexene-1-ylidenedimethanol
218-481-2cyclohex-3-ene-1,1-diyldimethanol[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol4,4-Bis(hydroxymethyl)-1-cyclohexene1,1-dimethylol-3-cyclohexeneYXEBFFWTZWGHEY-UHFFFAOYSA-[1-(hydroxymethyl)-1-cyclohex-3-enyl]methanolMFCD00001575
데이터베이스 식별자
- CAS
2160-94-3- PubChem CID
- 16544
- DTXSID
DTXSID40175968- EC Number
- 218-481-2
- Nikkaji
- J72.728H
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 125
물리화학적 성질
- 녹는점
- 88 · 88-90 °C(lit.)
- 끓는 점
- 115 °C · 115 °C (0.4 mmHg)
- 밀도
- 1.0037 · 1.0037 (rough estimate)
- 굴절률
- 1.4504 · 1.4504 (estimate)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 14.66 · 14.66±0.10(Predicted)
화학적 성질
BEIGE FINE CRYSTALLINE POWDER
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: 3-Cyclohexene-1,1-dimethanol
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- GW6050000
- 독성
- guinea pig,LD50,oral,2150mg/kg (2150mg/kg),"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 27, 1982.
- HS 번호
- 2906190090
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 36
- 기존화학 물질
- KE-09203
화학 및 산업
응용 분야
용도3-Cyclohexene-1,1-dimethanol can be used to prepare epoxy resins.
공급사11 곳
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