기본 정보
- CAS
67874-72-0- 표준 SMILES
CCC(C)(C)C1CCCCC1OC(C)=O- InChIKey
YEVACTAGDANHRH-UHFFFAOYSA-N- 분자식
- C13H24O2
- 평균 분자량
- 212.33 g/mol
- 단동위원소 질량
- 212.17763
개요
Coniferan is a carboxylic ester.
이름 및 식별자
- 우선 이름
- Conifer acetate
- IUPAC
- [2-(2-methylbutan-2-yl)cyclohexyl] acetate
- 현지명
- 2-XNUMX차펜틸사이클로헥사닐아세테이트
- 영어명
- 2-Tertiary pentyl cyclohexanyl acetate
- 분자식
- C13H24O2
- 분자량
- 212.33
이름 및 동의어
Coniferan2-tert-Pentylcyclohexyl acetateconifer acetate2-(2-Methylbutan-2-yl)cyclohexyl acetateCyclohexanol, 2-tert-pentyl-, acetateDTXSID00445734SMO7U026Famylcyclohexyl acetateNSC-21163DTXCID8024573RefChem:578642267-500-0
이름 더 보기
2-XNUMX차펜틸사이클로헥사닐아세테이트CONIFERAN IFF2-tert-Pentylcyclohexylacetat2-tert-Amylcyclohexyl acetateAmylcyclohexylacetate(mixedisomers)2-Tertiary pentyl cyclohexanyl acetateORTHO TERTIARY AMYL CYCLOHEXANYL ACETATE2-(1,1-dimethylpropyl)-cyclohexanoacetate
67874-72-0[2-(2-methylbutan-2-yl)cyclohexyl] acetate2-tert-Amylcyclohexylacetate2-(1,1-Dimethylpropyl)cyclohexyl acetateCYCLOHEXANOL, 2-(1,1-DIMETHYLPROPYL)-, ACETATECyclohexanol, 2-(1,1-dimethylpropyl)-, 1-acetateUNII-4SMO7U026F2-Tertiarypentylcyclohexanyl acetate
데이터베이스 식별자
- CAS
67874-72-0- PubChem CID
- 62240
- DTXSID
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 221
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Amylcyclohexyl acetate (mixed isomers)) -> IFRA transparency List
LogP4.770
Food AdditivesUse unspecified -> FDA Substance added to food
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 311.02 °C · 311.02°C (rough estimate)
- 밀도
- 0.9663 · 0.9663 (rough estimate)
- 증기압
- 4.24 Pa · 4.24Pa at 24℃
- 굴절률
- 1.456 · 1.4560 (estimate)
- 색상
- 무색의 액체.
- 냄새
- 100 %에서 · 100.00%에서. 발삼 우디 달콤한 전나무 발삼 라즈베리 잼
- 냄새 유형
- 발사믹
- 수용성
- 7.6 mg/L · 7.6mg/L at 24℃
- 화장품 원료 기능
- 향기향수
- LogP
- 5.4 at · 5.4 at 25℃
- EPA
- 2 · Cyclohexanol, 2-(1,1-dimethylpropyl)-, acetate (67874-72-0)
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 2.3% (38 of 1653) of reports.
H411 (97.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1653 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Cyclohexanol, 2-(1,1-dimethylpropyl)-, acetate
Cyclohexanol, 2-(1,1-dimethylpropyl)-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 2-(1,1-dimethylpropyl)-, 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: 2-tert-pentylcyclohexyl acetate (EC: 267-500-0)
Cyclohexanol, 2-(1,1-dimethylpropyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (97.7%)
안전 데이터
- tsca
- TSCA listed
- 독성
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1974).
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 27,341 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 8 consumer products that contain Isopentyl Cyclohexyl Acetate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Other (requires additional information)
Cyclohexanol, 2-(1,1-dimethylpropyl)-, 1-acetate: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature.
제조 방법
From 2-tert-amylcyclohexanol(Arctander, 1969).
공급사12 곳
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
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