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기본 정보
- CAS
1117-52-8- 표준 SMILES
CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C- InChIKey
LTUMRKDLVGQMJU-IUBLYSDUSA-N- 분자식
- C18H30O
- 평균 분자량
- 262.4 g/mol
- 단동위원소 질량
- 262.22966558
이름 및 식별자
- 우선 이름
- Farnesyl acetone
- IUPAC
- (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
- 영어명
- (5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
- 분자식
- C18H30O
- 분자량
- 262.43
이름 및 동의어
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-oneFarnesyl acetoneFarnesylacetone(E,E)-farnesylacetoneFEMA No. 3442CHEBI:672522,6,10-Trimethyl-2,6,10-pentadecatrien-14-one26A08O86E6RefChem:597158212-097-91117-52-8E,E-farnesylacetone
이름 더 보기
5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-FEMA 3442(5E,9E)-Farnesylacetone9E)-6(5E,9E)Farnesylaceton
MFCD000365175,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-trans,trans-farnesylacetoneFarnesyl acetone, (5E,9E)-(E,E)-Farnesyl acetone(E,E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one(5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one3S0G4N267H
데이터베이스 식별자
- CAS
1117-52-8、762-29-8- PubChem CID
- 1711945
- DTXSID
DTXSID50883648- ChEMBL
CHEMBL486207- ChEBI
CHEBI:67252- UNII
- 3S0G4N267H
- EC Number
- 214-246-3
- Nikkaji
- J24.208J、J60.733I
물성
구조 계산 물성보충 중
- XLogP
- 5.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 352
실험 및 물리화학적 성질
Density0.885-0.895
Solubility
soluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point147-148 °C
Refractive Index1.478-1.483
Physical DescriptionColourless or pale straw-coloured oily liquid; intensely sweet, floral odour
Kovats Retention Index
1893；1892；1914；1895；1895
1915；1915；1918；1919.8；1914；1919；1918；1914；1927；1927；1881；1913；1916；1886；1917；1919；1921；1924；1919；1933
2363；2376；2376；2384；2386；2384；2386；2386；2384；2384；2384；2384；2384；2364；2375；2376；2381.6
1921
물리화학적 성질
- 끓는 점
- 147 · 147-148 °C(Press: 0.5 Torr)
- 밀도
- 0.88 g/mL · 0.88 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.481
- FEMA
- 4213 · 4213 | 3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL ACETATE
- 저장 조건
- 2 · 2-8°C
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 98.9% (91 of 92) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 91 of 92 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 92 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 91 of 92 reports by companies.；There is 1 notification provided by 1 of 92 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory InformationChemical: 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory InformationChemical: 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- HS 번호
- 29141900
- safety_code
- 24/25
- 기존화학 물질
- KE-34631
화학 및 산업
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-: ACTIVE
응용 분야
용도E,E-Farnesylacetone, is a natural organic compound which is present in many essential oils. It has been shown that, Farnesylacetone inhibits electron transport in isolated rat liver mitochondria.
상·하류 제품 정보
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