기본 정보
- 표준 SMILES
CC1=CC(C)CC(C=O)C1- InChIKey
ZHDQGHCZWWDMRS-UHFFFAOYSA-N- 분자식
- C9H14O
- 평균 분자량
- 138.21 g/mol
- 단동위원소 질량
- 138.10446507
이름 및 식별자
- 우선 이름
- 3,5-Dimethyl-3-cyclohexene carboxaldehyde
- IUPAC
- 3,5-dimethylcyclohex-3-ene-1-carbaldehyde
- 현지명
- 트라이버탈
- 영어명
- TRIVERTAL
- 분자식
- C9H14O
- 분자량
- 138.21
이름 및 동의어
3,5-Dimethylcyclohex-3-ene-1-carbaldehyde68039-48-53,5-ivy carbaldehyde3,5-Dimethyl-3-cyclohexene carboxaldehyde3-Cyclohexene-1-carboxaldehyde, 3,5-dimethyl-3,5-Dimethyl-3-cyclohexenecarboxaldehydeAGRUMEN ALDEHYDEEINECS 268-263-6NSC-4808440636QR86EDTXSID4052390NSC 48084
이름 더 보기
트라이버탈CYCLAL CTRIVERTAL5-Formyl-1,3-dimethylcyclohex-1-ene1-Formyl-3,5-dimethyl-3-cyclohexene
FEMA NO. 4505, 3,5-DIMETHYL-3,5-dimethyl-3-cyclohexene-1-carboxaldehyde3,5-DIMETHYL-3-CYCLOHEXENYLCARBALDEHYDE3,5-DIMETHYLCYCLOHEX-3-ENECARBOXALDEHYDERefChem:486971DTXCID4030962(+-)-3,5-DIMETHYL-3-CYCLOHEXENE CARBOXALDEHYDE3,5-DIMETHYL-3-CYCLOHEXENE CARBOXALDEHYDE, (+-)-
데이터베이스 식별자
- CAS
68039-48-5- PubChem CID
- 97854
- DTXSID
DTXSID4052390- UNII
- 40636QR86E
- EC Number
- 268-263-6
- Nikkaji
- J68.881I
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 158
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3,5-Dimethylcyclohex-3-ene-1-carbaldehyde) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 196 °C · 196 °C(lit.)
- 밀도
- 0.936 g/mL · 0.936 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.473(lit.)
- 인화점
- 151 °F · 151 °F
- 냄새
- 100 %에서 · 100.00%에서. 신선한 녹색 허브 구연산 비누 깨끗한
- 냄새 유형
- 녹색
- 화장품 원료 기능
- 향수
- LogP
- 2.67 · 2.67
- EPA
- 3 · 3-Cyclohexene-1-carboxaldehyde, 3,5-dimethyl- (68039-48-5)
안전 및 규제
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
H312 (11.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 3-Cyclohexene-1-carboxaldehyde, 3,5-dimethyl-
3-Cyclohexene-1-carboxaldehyde, 3,5-dimethyl-: 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-dimethyl-: Environment tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (11.8%)
Skin Sens. 1B
안전 데이터
- wgk
- -
- tsca
- TSCA listed
- 기존화학 물질
- KE-11300
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Cyclohexene-1-carboxaldehyde, 3,5-dimethyl-: ACTIVE
공급사4 곳
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