기본 정보
- CAS
7492-67-3- 표준 SMILES
CC(C)=CCCC(C)CCOCC=O- InChIKey
LMETVDMCIJNNKH-UHFFFAOYSA-N- 분자식
- C12H22O2
- 평균 분자량
- 198.3 g/mol
- 단동위원소 질량
- 198.16197994
개요
[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde is a monoterpenoid.
이름 및 식별자
- 우선 이름
- Citronelloxyacetaldehyde
- IUPAC
- 2-(3,7-dimethyloct-6-enoxy)acetaldehyde
- 영어명
- FEMA 2310
- 분자식
- C12H22O2
- 분자량
- 198.3
이름 및 동의어
Citronellyloxyacetaldehyde7492-67-3CITRONELLOXYACETALDEHYDEMuget aldehyde6,10-Dimethyl-3-oxa-9-undecenalMuguet aldehydeFEMA No. 2310[(3,7-dimethyl-6-octenyl)oxy]acetaldehyde((3,7-Dimethyl-6-octenyl)oxy)acetaldehydecitronellyl oxyacetaldehydeEINECS 231-324-2UNII-6PS292RE8D
이름 더 보기
FEMA 2310MUGENAL 50 IN DPGMUGUET ALDEHYDE 50FEMA 2310 USP/EP/BPMUGUET ALDEHYDE 50 BBMUGUET ALDEHYDE 50% IN B.B.MUGUET ALDEHYDE 50% IN D.E.P.
NSC 46126BRN 1767678MUGENAL6PS292RE8DAI3-36126NSC-461262-[(3,7-dimethyloct-6-en-1-yl)oxy]acetaldehydeAcetaldehyde, 2-((3,7-dimethyl-6-octen-1-yl)oxy)-
데이터베이스 식별자
- CAS
7492-67-3- PubChem CID
- 61401
- DTXSID
DTXSID7052492- ChEMBL
CHEMBL3729330- ChEBI
CHEBI:171839- UNII
- 6PS292RE8D
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 169
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Citronelloxyacetaldehyde) -> IFRA transparency List
LogP3.260
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.922 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in alcohol
(in ethanol)
Boiling Point
130.00 °C. @ 12.00 mm Hg
239 °C; 130 °C (12 mm Hg)
Refractive Index1.461-1.471
Physical Descriptioncolourless viscous liquid with strong floral odour
물리화학적 성질
- 끓는 점
- 275.63 °C · 275.63°C (rough estimate)
- 밀도
- 0.9694 · 0.9694 (rough estimate)
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 96.6% (1524 of 1577) of all reports.
Not Classified
Aggregated GHS information provided per 1577 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Acetaldehyde, [(3,7-dimethyl-6-octenyl)oxy]-
REACH registered substance: [(3,7-dimethyl-6-octenyl)oxy]acetaldehyde (EC: 231-324-2)
Acetaldehyde, (3,7-dimethyl-6-octenyl)oxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 독성
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
- 기존화학 물질
- KE-11698
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationAcetaldehyde, 2-[(3,7-dimethyl-6-octen-1-yl)oxy]-: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature.
제조 방법
Interaction of bromoacetals with sodium or potassium alcoholates.
상·하류 제품 정보
상류 원료
공급사11 곳
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Shaanxi Haibo Biotechnology Co., Ltd+86-18629295024 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
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