기본 정보
- CAS
21722-83-8- 표준 SMILES
CC(=O)OCCC1CCCCC1- InChIKey
NOTFZGFABLVTIG-UHFFFAOYSA-N- 분자식
- C10H18O2
- 평균 분자량
- 170.25 g/mol
- 단동위원소 질량
- 170.13067981
개요
Cyclohexylethyl acetate is a carboxylic ester.
이름 및 식별자
- 우선 이름
- Cyclohexaneethyl acetate
- IUPAC
- 2-cyclohexylethyl acetate
- 영어명
- FEMA 2348
- 분자식
- C10H18O2
- 분자량
- 170.25
이름 및 동의어
2-Cyclohexylethyl acetateCyclohexylethyl acetate21722-83-8Cyclohexaneethyl acetateCyclohexaneethanol, acetateEthylcyclohexyl acetateHexahydrophenethyl acetateHexahydrophenyl ethyl acetateCyclohexane ethyl acetateCyclohexaneethanol, 1-acetateACETIC ACID, CYCLOHEXYLETHYL ESTERFEMA No. 2348
이름 더 보기
CYCLOHEXYL ETHYL ACETATEFEMA 2348FEMA 2348 USP/EP/BPCYCLOHEXYLETHYLACETAT2-CyclohexylethylacetatCYCLOHEXANETHANYL ACETATECYCLOHEXYLETHANOL ACETATECyclohexaneethanolacetate
Cyclohexaneethanol acetateDTXSID304718815W91S5XTZNOTFZGFABLVTIG-UHFFFAOYSA-EINECS 244-543-3BRN 2244135AI3-17442DTXCID1027188
데이터베이스 식별자
- CAS
21722-83-8- PubChem CID
- 30771
- DTXSID
DTXSID3047188- ChEMBL
CHEMBL3560993- ChEBI
CHEBI:180232- UNII
- 15W91S5XTZ
- EC Number
- 244-543-3
- Nikkaji
- J33.453G
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 137
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Cyclohexaneethyl acetate) -> IFRA transparency List
LogP3.510
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.945-0.948
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
222.00 °C. @ 760.00 mm Hg
211 °C (766 mm Hg)
Refractive Index1.442-1.450
Physical DescriptionColourless oily liquid; powerful, sweet-fruity odour of considerable tenacity.
물리화학적 성질
- 끓는 점
- 222 °C · 222 °C(lit.)
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 97.6% (1529 of 1566) of all reports.
Not Classified
Aggregated GHS information provided per 1566 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Cyclohexaneethanol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-cyclohexylethyl acetate (EC: 244-543-3)
Cyclohexaneethanol, acetate: 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 CategoriesNot Classified
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- AG5095000
- 독성
- The acute oral LD50 value in rats was reported as 3.2 g/kg and the acute dermal LD50 value in rabbits as 5 g/kg (Wohl, 1974).
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Household ProductsInformation on 3 consumer products that contain Cyclohexaneethyl acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationCyclohexaneethanol, 1-acetate: ACTIVE
응용 분야
출처Reported found in beli (Aegle marmelos Correa) and passion fruit juice.
제조 방법
From the corresponding alcohol by acetylation with sodium acetate in acetic acid solution.
공급사18 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江西林缘香料有限公司13879661494 13879661494 · [email protected]
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