기본 정보
- CAS
10411-92-4- 표준 SMILES
CC(=O)OC1CCC(C(C)(C)C)CC1- InChIKey
MBZRJSQZCBXRGK-UHFFFAOYSA-N- 분자식
- C12H22O2
- 평균 분자량
- 198.3 g/mol
- 단동위원소 질량
- 198.16197994
개요
4-tert-Butylcyclohexyl acetate is a carboxylic ester.
이름 및 식별자
- 우선 이름
- 4-tert-Butylcyclohexyl acetate
- IUPAC
- (4-tert-butylcyclohexyl) acetate
- 현지명
- cis-4-tert-부틸시클로헥실아세테이트
- 영어명
- cis-4-tert-butylcyclohexyl acetate
- 분자식
- C12H22O2
- 분자량
- 198.3
이름 및 동의어
4-tert-Butylcyclohexyl acetate32210-23-44-tert-Butylcyclohexanol acetatep-tert-Butylcyclohexyl acetateCyclohexanol, 4-tert-butyl-, acetateCyclohexanol, 4-(1,1-dimethylethyl)-, acetateDTXSID102797421EUM2B8UCCyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetateDTXCID207974NSC-163103RefChem:526875
이름 더 보기
cis-4-tert-부틸시클로헥실아세테이트woody acetateEinecs 233-881-7cis-woody acetate(1β,4β)-4-tert-Butylcyclohexyl=acetate(1α,4α)-4-tert-Butylcyclohexyl=acetateAcetic acid 4β-tert-butylcyclohexane-1β-yl esterAcetic acid 4α-tert-butylcyclohexane-1α-yl esterAcetic acid 4α-(tert-butyl)cyclohexan-1α-yl esterCyclohexanol, 4-(1,1-dimethylethyl)-, acetate, cis-
250-954-9Vertenex10411-92-4cis-4-tert-Butylcyclohexyl acetate(4-tert-butylcyclohexyl) acetatep-tert-Butyl cyclohexyl acetate4-t-Butylcyclohexyl acetate4-tert-Butylhexahydrophenyl acetate
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 195
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
Fragrances
Fragrance Ingredient (4-tert-Butylcyclohexyl acetate) -> IFRA transparency List
Fragrance Ingredient (cis-4-tert-Butylcyclohexyl acetate) -> IFRA transparency List
Physical DescriptionCBI; Other Solid; Liquid; Dry Powder; Liquid
물리화학적 성질
- 끓는 점
- 235 ℃[at · 235℃[at 101 325 Pa]
- 밀도
- 0.936 · 0.936[at 20℃]
- 증기압
- 7.9 Pa · 7.9Pa at 25℃
- 냄새
- 100 %에서 · 100.00%에서. 신선한 과일 꽃 소나무
- 냄새 유형
- 과일 같은
- 수용성
- 4.16 mg/L · 4.16mg/L at 25℃
- LogP
- 4.8 at · 4.8 at 25℃
- EPA
- 4 · Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate, cis- (10411-92-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2617) of reports.
Warning
H317 (80.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2617 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate, trans-
Chemical: Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate, cis-
Chemical: Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate 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)
REACH registered substance: cis-4-tert-butylcyclohexyl acetate (EC: 233-881-7)
REACH registered substance: 4-tert-butylcyclohexyl acetate (EC: 250-954-9)
Hazard Classes and Categories
Skin Sens. 1 (80.3%)
Acute Tox. 4 (27.5%)
Aquatic Chronic 2 (100%)
Skin sensitization - Category 1B
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesSolvent
Household Products
Information on 2 consumer products that contain 4-tert-Butylcyclohexyl acetate, cis- in the following categories is provided:
Information on 339 consumer products that contain 4-Tert-Butylcyclohexyl Acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate, trans-: ACTIVE
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate, cis-: ACTIVE
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate: ACTIVE
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司
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