기본 정보
- CAS
1670-47-9- 표준 SMILES
CCOC1(OCC)CCCCC1- InChIKey
MWUDABUKTZAZCX-UHFFFAOYSA-N- 분자식
- C10H20O2
- 평균 분자량
- 172.26 g/mol
- 단동위원소 질량
- 172.14632988
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1,1-Diethoxycyclohexane
- IUPAC
- 1,1-diethoxycyclohexane
- 영어명
- Cyclohexanone diethyl acetal
- 분자식
- C10H20O2
- 분자량
- 172.26
이름 및 동의어
1,1-Diethoxycyclohexane1670-47-9Cyclohexanone diethyl ketalCYCLOHEXANONE DIETHYL ACETALCyclohexane, 1,1-diethoxy-84QSY8U161DTXSID6061868FEMA NO. 4516RefChem:580704DTXCID7035359216-798-0MFCD00037723
이름 더 보기
RHUMACETALAKOS 611,1-diethoxyclohexane1,1-diethoxy-cyclohexan1,1-DIETHOXYCYCLOHEXANONE1,1-Diethoxycyclohexane,98%
UNII-84QSY8U161diethoxycyclohexaneEINECS 216-798-0cyclohexanone diethylketal1,1-diethoxy cyclohexane1,1-diethoxy-cyclohexaneCyclohexanone, diethyl acetalSCHEMBL199605
데이터베이스 식별자
- CAS
1670-47-9- PubChem CID
- 74279
- DTXSID
DTXSID6061868- ChEMBL
CHEMBL5285731- UNII
- 84QSY8U161
- EC Number
- 216-798-0
- Nikkaji
- J147.408A
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 109
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Cyclohexanone diethyl ketal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.911-0.921 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point102-103 °C (45 mm Hg)
Refractive Index1.432-1.442
Physical DescriptionColourless to pale yellow clear liquid; Fruity, liquor, rum, tobacco, woody aroma
물리화학적 성질
- 끓는 점
- 76 · 76-78 °C20 mm Hg(lit.)
- 밀도
- 0.908 g/mL · 0.908 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.4360(lit.)
- FEMA
- 4516 · 4516 | CYCLOHEXANONE DIETHYL KETAL
- 인화점
- 140 °F · 140 °F
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 7.6% (110 of 1454) of reports.
H412 (88.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1454 reports by companies from 8 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Cyclohexane, 1,1-diethoxy-
Cyclohexane, 1,1-diethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclohexane, 1,1-diethoxy-: Environment tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (88.5%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- 3
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationCyclohexane, 1,1-diethoxy-: ACTIVE
응용 분야
용도Cyclohexanone diethyl ketal may be used in the preparation of 1-ethoxycyclohexene.
일반 설명Cyclohexanone diethyl ketal (1,1-Diethoxycyclohexane) reacts with 1,3,2-benzodioxaborole [catecholborane (CB)] to form the corresponding ether. It undergoes thermal elimination reaction in gas-phase to yield 1-ethoxycyclohexene and ethanol.
상·하류 제품 정보
하류 제품
공급사40 곳
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
관련 반응
6건
화합물 노트
불러오는 중…