기본 정보
- CAS
83926-73-2- 표준 SMILES
CC(C)(O)CCC1CCCCC1- InChIKey
KZZASWGRLOTITL-UHFFFAOYSA-N- 분자식
- C11H22O
- 평균 분자량
- 170.29 g/mol
- 단동위원소 질량
- 170.16706532
이름 및 식별자
- 우선 이름
- 4-Cyclohexyl-2-methyl-2-butanol
- IUPAC
- 4-cyclohexyl-2-methylbutan-2-ol
- 현지명
- 시클로헥산프로판올,2,2-디메틸-
- 영어명
- 4-Cyclohexyl-2-methyl-2-butanol
- 분자식
- C11H22O
- 분자량
- 170.29
이름 및 동의어
4-cyclohexyl-2-methyl-2-butanol4-cyclohexyl-2-methylbutan-2-ol83926-73-2alpha,alpha-DimethylcyclohexanepropanolCyclohexanepropanol, alpha,alpha-dimethyl-DTXSID9051402EC 420-630-3Cyclohexanepropanol, .alpha.,.alpha.-dimethyl-RefChem:522326DTXCID3030004420-630-3640-101-2
이름 더 보기
시클로헥산프로판올,2,2-디메틸-2,2-dimethylcyclohexanepropanolα,α-DimethylcyclohexanepropanolCyclohexanepropanol,2,2-dimethyl-7. 4-Cyclohexyl-2-Methyl-2-butanolCyclohexanepropanol, a,a-dimethyl-Cyclohexanepropanol, α,α-dimethyl-
HFL24LW6V5UNII-HFL24LW6V5CoranolSCHEMBL2914152-Methyl-4-cyclohexylbutan-2-olKZZASWGRLOTITL-UHFFFAOYSA-NNS00004128EN300-1839185
데이터베이스 식별자
- CAS
83926-73-2- PubChem CID
- 14434313
- DTXSID
DTXSID9051402- UNII
- HFL24LW6V5
- EC Number
- 420-630-3、640-101-2
- Nikkaji
- J2.470.176J
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 123
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (4-Cyclohexyl-2-methyl-2-butanol) -> IFRA transparency List
Physical DescriptionCBI
물리화학적 성질
- 끓는 점
- 96 · 96-97 °C(Press: 7 Torr)
- 밀도
- 0.9048 g/cm3 · 0.9048 g/cm3
- 산도 계수 (pKa)
- 15.33 · 15.33±0.29(Predicted)
- 냄새
- 100 %에서 · 100.00%에서. 꽃무늬 부아 드 로즈 고수풀
- 냄새 유형
- 꽃향기
- LogP
- 3.49 · 3.490
- EPA
- Cyclohexanepropanol, .alpha.,.alpha.-dimethyl- (83926-73-2)
화학적 성질
4-Cyclohexyl-2-methyl-2-butanol is a colorless liquid that may partly crystallize with a spicy floral note, reminiscent of (3S′)-(+)-linalool (coriandrol). It can be used in relatively high dosages in perfume oils for a wide range of applications.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Danger
H318 (19%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Cyclohexanepropanol, .alpha.,.alpha.-dimethyl-
Cyclohexanepropanol, .alpha.,.alpha.-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanepropanol, .alpha.,.alpha.-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 4-cyclohexyl-2-methyl-2-butanol (EC: 420-630-3)
α,α-Dimethylcyclohexanepropanol: 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 Categories
Eye Dam. 1 (19%)
Skin Irrit. 2 (25.3%)
Eye damage - category 1
Eye Dam. 1
안전 데이터
- tsca
- TSCA listed
- risk_code
- 41-51/53
- hazard_code
- Xi,N
- safety_code
- 26-39-61
- 기존화학 물질
- 2009-3-4025
화학 및 산업
용도 및 제조
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesFragrance
Household ProductsInformation on 32 consumer products that contain 4-cyclohexyl-2-methyl-2-butanol in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanepropanol, .alpha.,.alpha.-dimethyl-: ACTIVE
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