기본 정보
- CAS
68039-24-7- 표준 SMILES
COC(C)OCCC(C)CCC=C(C)C- InChIKey
YSABATHBMSLQLP-UHFFFAOYSA-N- 분자식
- C13H26O2
- 평균 분자량
- 214.34 g/mol
- 단동위원소 질량
- 214.19328007
이름 및 식별자
- 우선 이름
- 2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-
- IUPAC
- 8-(1-methoxyethoxy)-2,6-dimethyloct-2-ene
- 현지명
- 3,7-디메틸-6-옥테닐메틸아세탈
- 영어명
- 3,7-DIMETHYL-6-OCTENYL METHYL ACETAL
- 분자식
- C13H26O2
- 분자량
- 214.34
이름 및 동의어
8-(1-Methoxyethoxy)-2,6-dimethyloct-2-ene68039-24-7Acetaldehyde citronellylmethyl acetal2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-EINECS 268-243-78-(1-methoxyethoxy)-2,6-dimethyl-2-octeneDTXSID50887101Acetaldehyde, 3,7-dimethyl-6-octenylmethyl acetalRefChem:477302DTXCID201026415268-243-7SCHEMBL872808
이름 더 보기
3,7-디메틸-6-옥테닐메틸아세탈CITRONELLYL METHYL ACETAL1-citronellyloxy-1-methoxyethane3,7-DIMETHYL-6-OCTENYL METHYL ACETAL8-(1-methoxyethoxy)-2,6-dimethyl-2-octen2,6-Dimethyl-8-(1-methoxyethoxy)-2-octene
Ethanal, citronellyl methyl acetalacetaldehyde citronellyl methyl acetalAKOS024333646NS00012829
데이터베이스 식별자
- CAS
68039-24-7- PubChem CID
- 107057
- DTXSID
DTXSID50887101- EC Number
- 268-243-7
- Nikkaji
- J288.953F
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 171
물리화학적 성질
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 감귤 천연 레몬
- 냄새 유형
- 감귤류
- 화장품 원료 기능
- 향수
- LogP
- 4.18 · 4.180
- EPA
- 2 · 2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl- (68039-24-7)
화학적 성질
Citronellyl methyl acetal is a colorless mobile liquid. Almost insoluble in water, soluble in alcohol and oils.
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 70.1% (89 of 127) of all reports.
H413 (29.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 127 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-
2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 4 (29.9%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-: INACTIVE
응용 분야
용도Citronellyl methyl acetal is used in perfumery in support of Geranium notes, particularly in better soap perfumes, etc. It can also be considered as a variation of the Citronellyl formate theme, and used as a modifier for the lower esters of Citronellol.
공급사1 곳
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