기본 정보
- CAS
15890-36-5- 표준 SMILES
CC(C)C1CCC(O)CC1- InChIKey
DKKRDMLKVSKFMJ-UHFFFAOYSA-N- 분자식
- C9H18O
- 평균 분자량
- 142.24 g/mol
- 단동위원소 질량
- 142.13576519
이름 및 식별자
- 우선 이름
- 4-Isopropylcyclohexanol
- IUPAC
- 4-propan-2-ylcyclohexan-1-ol
- 현지명
- 4-이소프로필시클로헥산올
- 영어명
- 4-Isopropylcyclohexanol
- 분자식
- C9H18O
- 분자량
- 142.24
이름 및 동의어
4-ISOPROPYLCYCLOHEXANOL4621-04-9Cyclohexanol, 4-(1-methylethyl)-p-IsopropylcyclohexanolCyclohexanol, 4-isopropyl-DTXSID2047149DTXCID0027149NSC-211233N745V536FRefChem:524339225-035-0trans-4-Isopropylcyclohexanol
이름 더 보기
4-이소프로필시클로헥산올Ccris 8052trans-4-Isopropylcyclohexanol>trans-4-(1-Methylethyl)cyclohexanoltrans-4-isopropylcyclohexanol - [K83290]Cyclohexanol, 4-(1-methylethyl)-, trans-
15890-36-54-iso-Propylcyclohexanol22900-08-9cis-4-isopropylcyclohexanolcis-opropylcyclohexanolCyclohexanol, 4-(1-methylethyl)-, cis-Cyclohexanol, p-isopropyl-4-(Propan-2-Yl)Cyclohexan-1-Ol
데이터베이스 식별자
- CAS
15890-36-5、22900-08-9、4621-04-9- PubChem CID
- 20739
- DTXSID
DTXSID2047149- ChEMBL
CHEMBL3187028- UNII
- 365047QI0X、Q5HS2TR1NE
- EC Number
- 225-035-0
- Nikkaji
- J3.739.583H、J34.007C、J779.154B
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 90
실험 및 물리화학적 성질
Kovats Retention Index
1173
1165
1651；1683
물리화학적 성질
- 녹는점
- 6 °C · 6°C(lit.)
- 끓는 점
- 94 °C/5mmHg · 94°C/5mmHg(lit.)
- 밀도
- 0.915 · 0.9150
- 굴절률
- 1.464 to · 1.4640 to 1.4680
- 산도 계수 (pKa)
- 15.3 · 15.30±0.40(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- InChI
- InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3/t8-,9-
- InChIKey
- DKKRDMLKVSKFMJ-KYZUINATSA-N
- SMILES
- [C@@H]1(O)CC[C@@H](C(C)C)CC1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1596 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Cyclohexanol, 4-(1-methylethyl)-
Status: Active Update: 02-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19659
Cyclohexanol, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesEye Dam. 1 (97.6%)
규제 정보
Regulatory Information
Chemical: Cyclohexanol, 4-(1-methylethyl)-
Status: Active Update: 02-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19659
Cyclohexanol, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
화학 및 산업
용도 및 제조
Household ProductsInformation on 1 consumer products that contain Cyclohexanol, 4-(1-Methylethyl)- in the following categories is provided:；• Commercial / Institutional
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanol, 4-(1-methylethyl)-: ACTIVE
공급사14 곳
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
南京今冉生物新材料科技有限公司+86-025-58218501; 19941513806
관련 반응
2건
화합물 노트
불러오는 중…