기본 정보
- CAS
6784-13-0- 표준 SMILES
CC1=CCC(C(C)CC=O)CC1- InChIKey
VJYFMQREUJXCQV-UHFFFAOYSA-N- 분자식
- C11H18O
- 평균 분자량
- 166.26 g/mol
- 단동위원소 질량
- 166.1357652
개요
Limonene aldehyde is a p-menthane monoterpenoid.
이름 및 식별자
- 우선 이름
- 3-Cyclohexene-1-propanal, beta,4-dimethyl-
- IUPAC
- 3-(4-methylcyclohex-3-en-1-yl)butanal
- 현지명
- 베타,4-디메틸사이클로헥스-3-엔-1-프로판-1-알
- 영어명
- beta,4-dimethylcyclohex-3-ene-1-propan-1-al
- 분자식
- C11H18O
- 분자량
- 166.26002
이름 및 동의어
6784-13-03-(4-Methyl-3-cyclohexenyl)butanalEINECS 229-846-03-(4-Methylcyclohex-3-en-1-yl)butyraldehyde3-Cyclohexene-1-propanal, .beta.,4-dimethyl-3-Cyclohexene-1-propanal, beta,4-dimethyl-RefChem:5007823-(4-methylcyclohex-3-en-1-yl)butanalLimonene aldehydebeta,4-Dimethylcyclohex-3-ene-1-propan-1-al3-(1-methylcyclohexen-4-yl)-butyraldehyde3-[1-methylcyclohexen-4-yl]-butyraldehyde
이름 더 보기
베타,4-디메틸사이클로헥스-3-엔-1-프로판-1-알p-Menth-1-ene-9-carboxaldehydeβ,4-Dimethyl-3-cyclohexene-1-propanal3-Cyclohexene-1-propanal, β,4-dimethyl-β,4-dimethylcyclohex-3-ene-1-propan-1-albeta-4-Dimethylcyclohex-3-ene-1-propanal.beta.,4-dimethyl-3-Cyclohexene-1-propanal
LIMONENALbeta,4-Dimethyl-3-Cyclohexene-1-propanalSCHEMBL229476DTXSID1052379CHEBI:1718243-(4-methyl-3-cyclohexenyl)butyraldehyde3-(1-methylcyclohexen-4-yl)-butyr-aldehydeNS00012285
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 181
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (.beta.,4-Dimethylcyclohex-3-ene-1-propan-1-al) -> IFRA transparency List
Boiling Point234.00 to 236.00 °C. @ 760.00 mm Hg
Physical DescriptionCBI
물리화학적 성질
- 끓는 점
- 72 · 72-74 °C(Press: 1 Torr)
- 밀도
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- 냄새
- 시트러스 그린 알데히드 허브
- 냄새 유형
- 감귤류
- 수용성
- 86.1 mg/L · 86.1mg/L at 24℃
- 화장품 원료 기능
- 향수
- LogP
- 3.8 at · 3.8 at 25℃
- EPA
- 3 · 3-Cyclohexene-1-propanal, .beta.,4-dimethyl- (6784-13-0)
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 < 0.1% (1 of 1409) of reports.
Warning
H317 (> 99.9%): 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)
Aggregated GHS information provided per 1409 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3-Cyclohexene-1-propanal, .beta.,4-dimethyl-
3-Cyclohexene-1-propanal, .beta.,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-propanal, .beta.,4-dimethyl- 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)
Status: Active Update: 08-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20611
3-Cyclohexene-1-propanal, .beta.,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (> 99.9%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- 2015-3-6753
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: <50,000 lb
Consumer UsesFragrance
Household ProductsInformation on 5 consumer products that contain Beta,4-Dimethyl-3-Cyclohexene-1-Propanal in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Cyclohexene-1-propanal, .beta.,4-dimethyl-: ACTIVE
공급사8 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
天津丹骏国际贸易有限公司15822601686 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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