기본 정보
- CAS
432-24-6- 표준 SMILES
CC1=CCCC(C)(C)C1C=O- InChIKey
ZVZRJSHOOULAGB-UHFFFAOYSA-N- 분자식
- C10H16O
- 평균 분자량
- 152.23 g/mol
- 단동위원소 질량
- 152.12011513
개요
Alpha-Cyclocitral is an organooxygen compound.
이름 및 식별자
- 우선 이름
- alpha-Cyclocitral
- IUPAC
- 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde
- 현지명
- 알파-사이클로시랄
- 영어명
- alpha-Cyclociral
- 분자식
- C10H16O
- 분자량
- 152.23
이름 및 동의어
alpha-Cyclocitral432-24-62,6,6-Trimethylcyclohex-2-ene-1-carbaldehyde2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-.alpha.-Cyclocitral2,6,6-Trimethyl-2-cyclohexen-1-carboxaldehyde1-Formyl-2,6,6-trimethyl-2-cyclohexene2,6,6-Trimethyl-2-cyclohexene-1-carboxaldehyde762EWR23N8EINECS 207-080-8AI3-37230CYCLOCITRAL, .ALPHA.-
이름 더 보기
알파-사이클로시랄α-Cyclocitrala-Cyclocitralα-CyclociralUNII:762EWR23N8alpha-CyclociralPSEUDOCYCLOCITRAL2,6,6-Trimethyl-cyclohex-2-enecarbaldehyde
DTXSID60861932FEMA NO. 3639, .ALPHA.-RefChem:555476CYCLOCITRAL, ALPHA-(+-)-ALPHA-CYCLOCITRALDTXCID00810782(+-)-.ALPHA.-CYCLOCITRALALPHA-CYCLOCITRAL, (+-)-
데이터베이스 식별자
- CAS
432-24-6- PubChem CID
- 94143
- DTXSID
DTXSID60861932- ChEBI
CHEBI:171968- UNII
- 762EWR23N8
- EC Number
- 207-080-8
- Nikkaji
- J127.247K
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 189
실험 및 물리화학적 성질
Flavoring AgentsEU Flavoring substances
Boiling Point196.00 to 197.00 °C. @ 760.00 mm Hg
물리화학적 성질
- 끓는 점
- 78 · 78-810C/5.4Torr
- 밀도
- 0.925 g/cm3 · 0.925 g/cm3(Temp: 15 °C)
- 저장 조건
- -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색~담황색
- 안정성
- 감광성
- 화장품 원료 기능
- 향수
- InChI
- 1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3
- InChIKey
- ZVZRJSHOOULAGB-UHFFFAOYSA-N
- SMILES
- CC1=CCCC(C)(C)C1C=O
- LogP
- 3.19 · 3.19
- NIST
- 2 · 2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-(432-24-6)
- EPA
- 2 · 2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl- (432-24-6)
화학적 성질
Pale Yellow Oil
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
- Hazard Classifications
- Skin Sens. 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
General Manufacturing Information2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-: INACTIVE
응용 분야
용도α-Cyclocitral (cas# 432-24-6) is a compound useful in organic synthesis.
공급사33 곳
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