기본 정보
- CAS
68991-96-8- 표준 SMILES
CC1(C)CCCC2=C1CCC(C=O)C2- InChIKey
POLSEKWMVQFBBA-UHFFFAOYSA-N- 분자식
- C13H20O
- 평균 분자량
- 192.3 g/mol
- 단동위원소 질량
- 192.15141526
이름 및 식별자
- 우선 이름
- 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-
- IUPAC
- 5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carbaldehyde
- 영어명
- 1,2,3,4,5,6,7,8-octahydro-5,5-dimethylnaphthalene-2-carbaldehyde
- 분자식
- C13H20O
- 분자량
- 192.3
이름 및 동의어
68991-96-82-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-EINECS 273-660-2DTXSID808677941,2,3,4,5,6,7,8-Octahydro-5,5-dimethylnaphthalene-2-carbaldehyde5,5-Dimethyl-1,2,3,4,5,6,7,8-octahydro-2-naphthalenecarboxaldehydeRefChem:476388DTXCID80815952273-660-25,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carbaldehyde5,5-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbaldehydeSCHEMBL15199501
이름 더 보기
1,2,3,4,5,6,7,8-Octahydro-5,5-dimethyl-2-naphthalenecarbaldehyde1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-2-Naphthalenecarboxaldehyde
POLSEKWMVQFBBA-UHFFFAOYSA-NNS00013059
데이터베이스 식별자
- CAS
68991-96-8- PubChem CID
- 112134
- DTXSID
DTXSID80867794- EC Number
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 273
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (1,2,3,4,5,6,7,8-Octahydro-5,5-dimethylnaphthalene-2-carbaldehyde) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 110 °C · 110 °C(Press: 1 Torr)
- 밀도
- 1 g/cm3 · 1.000 g/cm3
- 화장품 원료 기능
- 향수
- LogP
- 3.87 · 3.870 (est)
- EPA
- 2 · 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl- (68991-96-8)
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 95.3% (223 of 234) of all reports.
Not Classified
Aggregated GHS information provided per 234 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-
1,2,3,4,5,6,7,8-Octahydro-5,5-dimethyl-2-naphthalenecarboxaldehyde: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Household ProductsInformation on 2 consumer products that contain 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl- in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-: ACTIVE
상·하류 제품 정보
상류 원료
관련 반응
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