기본 정보
- CAS
67634-07-5- 표준 SMILES
CC1=CC(C)C(C)C(C=O)C1- InChIKey
DEMWVPUIZCCHPT-UHFFFAOYSA-N- 분자식
- C10H16O
- 평균 분자량
- 152.23 g/mol
- 단동위원소 질량
- 152.12011513
이름 및 식별자
- 우선 이름
- 3,5,6-Trimethyl-3-cyclohexene-1-carboxaldehyde
- IUPAC
- 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
- 현지명
- 3,5,6-트리메틸시클로헥스-3-엔-1-카르브알데히드
- 영어명
- 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
- 분자식
- C10H16O
- 분자량
- 152.23
이름 및 동의어
3,5,6-Trimethylcyclohex-3-ene-1-carbaldehyde67634-07-53,5,6-Trimethyl-3-cyclohexene-1-carboxaldehyde3-Cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-38HRF2I56T3,5,6-trimethyl-3-cyclohexene-1-carbaldehydeTrimethylcyclohexenecarbaldehydeUNII-38HRF2I56TEINECS 266-810-33,5,6-neocyclocitralSCHEMBL454987CHEMBL3730644
이름 더 보기
3,5,6-트리메틸시클로헥스-3-엔-1-카르브알데히드1-Formyl-3,5,6-trimethyl-3-cyclohexene
DTXSID80274040AKOS015903970NS000132663,5,6-trimethyl-3-cyclohexen-1-carboxaldehyde3,5,6-TRIMETHYL-3-CYCLOHEXENYLCARBALDEHYDEQ27256794(+/-)-3,5,6-TRIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDE3,5,6-TRIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDE, (+/-)-
데이터베이스 식별자
- CAS
67634-07-5- PubChem CID
- 106735
- DTXSID
DTXSID80274040- ChEMBL
CHEMBL3730644- UNII
- 38HRF2I56T
- EC Number
- 266-810-3
- Nikkaji
- J68.879G
물성
구조 계산 물성
- XLogP
- 1.9
- 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
- 181
물리화학적 성질
- 냄새
- 100 %에서 · 100.00%에서. 신선한 녹색 잎이 많은 깨끗한 허브 국화
- 냄새 유형
- 녹색
- 화장품 원료 기능
- 향수
- LogP
- 3.034 · 3.034 (est)
- EPA
- 3 · 3-Cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl- (67634-07-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 3-Cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-
3-Cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-Cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-: Environment tier I assessment
Hazard Classes and Categories
Skin Sens. 1B (100%)
Skin Sens. 1B
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information3-Cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-: INACTIVE
공급사1 곳
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