기본 정보
- CAS
66327-54-6- 표준 SMILES
CC(C)CCCC1=CCC(C)(C=O)CC1- InChIKey
MVTYXAVPKZRAMW-UHFFFAOYSA-N- 분자식
- C14H24O
- 평균 분자량
- 208.34 g/mol
- 단동위원소 질량
- 208.18271539
이름 및 식별자
- 우선 이름
- 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
- IUPAC
- 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
- 현지명
- 1-메틸-4-(4-메틸펜틸)-3-사이클로헥센-1-카복스알데하이드
- 영어명
- VERNALDEHYDE
- 분자식
- C14H24O
- 분자량
- 208.34
이름 및 동의어
1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methylpentyl)-DTXSID9052345RefChem:434339DTXCID9030917266-314-7Vernaldehyde66327-54-61-Methyl-4-(4-methylpentyl)-3-cyclohexene-1-carboxaldehydeEINECS 266-314-7green carbaldehyde1-Formyl-1-methyl-4-(4-methylpentyl)-3-cyclohexene
이름 더 보기
1-메틸-4-(4-메틸펜틸)-3-사이클로헥센-1-카복스알데하이드버날데하이드VernaldenydeFresh gallic acidVERNALDEHYD (GIV.)Vernaldehyde 96446011-Methyl-1-formyl-4-(4-methylpentyl)-3-cyclohexene1-Methyl-4-(4-methylpentyl)cyclohex-3-en-1-carbaldehyd
SCHEMBL229453Vernaldehyde (Sum of isomers)MVTYXAVPKZRAMW-UHFFFAOYSA-NRCA32754MFCD01735053NS000133314-isohexyl-1-methyl-cyclohex-3-ene-1-carbaldehyde1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-carbaldehyde
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 240
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (1-Formyl-1-methyl-4-(4-methyl-pentyl)-3-cyclohexene) -> IFRA transparency List
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 287.55 °C · 287.55°C (rough estimate)
- 밀도
- 0.9275 · 0.9275 (rough estimate)
- 굴절률
- 1.4765 · 1.4765 (estimate)
- 인화점
- 78.3 ° · 78.3°
- 냄새
- 10 %.알데히드 · 디프로필렌 글리콜 중 10.00%.알데히드 금속 감귤류 아독살 프로파르네살 냄새
- 냄새 유형
- 녹색
- 화장품 원료 기능
- 향수
- LogP
- 4.735 · 4.735 (est)
- EPA
- 3 · 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methylpentyl)- (66327-54-6)
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 0.2% (3 of 1699) of reports.
Warning
H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1699 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methylpentyl)-
3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methylpentyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methylpentyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesSkin Irrit. 2 (99.8%)
안전 데이터
- tsca
- TSCA listed
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 1-메틸-4-(4-메틸펜틸)-3-사이클로헥센-1-카복스알데하이드 및 이를 25% 이상 함유한 혼합물
- 유해화학물질 필터링
- 2016-1-744 (신규화학물질)
화학 및 산업
용도 및 제조
U.S. Production2023: 8,261,452 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 5 consumer products that contain 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methylpentyl)-: ACTIVE
공급사30 곳
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
吉良化学21-62165282 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
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