기본 정보
- CAS
502-61-4- 표준 SMILES
C=C/C(C)=C/C/C=C(\C)CCC=C(C)C- InChIKey
CXENHBSYCFFKJS-VDQVFBMKSA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
- 단동위원소 질량
- 204.18780077
개요
Alpha-farnesene is a farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively.
이름 및 식별자
- 우선 이름
- Farnesene
- IUPAC
- (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
- 현지명
- 알파-파르네센
- 영어명
- FARNESENE
- 분자식
- C15H24
- 분자량
- 204.35
이름 및 동의어
alpha-FarneseneFarnesene502-61-4(E,E)-alpha-farneseneDTXSID4047202trans,trans-alpha-farnesene1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (3E,6E)-MAGNOLENE7E1785CZ0HDTXCID2027202FEMA NO. 3839CHEBI:10280
이름 더 보기
알파-파르네센α-Farnesene(E,E)-α-farneseneFEMA 3839(3E,6E)-3,7,11-Trimethyl-1,3,6,10-dodecatetraeneTRANS-B-FARNESENE(3E,6E)-α-Farnesene(3E,6E)- alpha-Farnesene
CHEBI:39236FARNESENE (ALPHA AND BETA)FEMA NO. 3839, (3E,6E)-alpha-RefChem:272544P3OFI15E1CHEBI:39237207-948-6a-farnesene
데이터베이스 식별자
- CAS
502-61-4- PubChem CID
- 5281516
- DTXSID
DTXSID4047202- ChEMBL
CHEMBL3182226- ChEBI
CHEBI:39236- UNII
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 270
실험 및 물리화학적 성질
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (alpha-Farnesene) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Boiling Point260.00 to 262.00 °C. @ 760.00 mm Hg
물리화학적 성질
- 녹는점
- 25 °C · <25 °C
- 끓는 점
- 260 °C · 260 °C(lit.)
- 밀도
- 0.844 · 0.844-0.8790 g/mL at 25 °C(lit.)
- FEMA
- 3839 · 3839 | ALPHA-FARNESENE
- 굴절률
- 20 · n20/D 1.490-1.505(lit.)
- 인화점
- 110 °C · 110 °C
- 저장 조건
- -20 °C, · -20°C, Light sensitive
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 무색~연황색
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 2.5% (40 of 1603) of reports.
Danger
H304 (97.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P301+P316, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1603 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (E,E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (3E,6E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAsp. Tox. 1 (97.5%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 기존화학 물질
- KE-34510
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (3E,6E)-: ACTIVE
응용 분야
출처Reported found in natural oils including angelica root oil (2,100 ppm), corn mint oil (
용도α-Farnesene acts as an alarm pheromone in termites; also acts as a food attractants for the apple tree pest, the codling moth. α-Farnesene is also the chief compound contributing to the scent of gardenia, making up ~65% of the headspace constituents.
제조 방법
Isolation from natural coating of apples and oil of perilla.
상·하류 제품 정보
하류 제품
공급사71 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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