기본 정보
- CAS
18794-84-8- 표준 SMILES
C=CC(=C)CC/C=C(\C)CCC=C(C)C- InChIKey
JSNRRGGBADWTMC-NTCAYCPXSA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
- 단동위원소 질량
- 204.18780077
이름 및 식별자
- 우선 이름
- beta-Farnesene
- IUPAC
- (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
- 현지명
- 베타-팔네이젠
- 영어명
- (E)-BETA-FARNESENE
- 분자식
- C15H24
- 분자량
- 204.35
이름 및 동의어
18794-84-8trans-beta-FarneseneBETA-FARNESENE(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-trienee-beta-farnesene(6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatrieneDTXSID9047049E5STW643HUDTXCID7027049CHEBI:10418CHEBI:39241RefChem:567827
이름 더 보기
베타-팔네이젠베타-팔네이젠(BETA-FARNESENE)파네신β-Farnesene(E)-β-Farnesene(E)-β-Farnesenetrans-β-Farnesene1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)-b-Farnesene(E)-beta-famesene7,11-Dimethyl-3-methylene-1,6,10-dodecatriene
(6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene(E)-beta-farnesene(E)-|A-Farnesene(E)-7,11-Dimethyl-3-methylenedodeca-1,6,10-trienetrans-B-farnesenebeta-trans-farnesene7,11-Dimethyl-3-methylenedodeca-1,6,10-triene1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)-
데이터베이스 식별자
- CAS
18794-84-8、77129-48-7- PubChem CID
- 5281517
- DTXSID
DTXSID9047049- ChEBI
CHEBI:10418- UNII
- E5STW643HU
- EC Number
- 242-582-0
- Nikkaji
- J10.900B、J309.360C
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 260
실험 및 물리화학적 성질
Physical DescriptionLiquid
Kovats Retention Index
1448；1448；1452；1450；1449；1453；1448；1447；1446；1447；1459；1446；1446；1445；1450；1449；1443；1450；1438；1456
1468.5；1459；1458；1459；1457；1457；1461；1454；1457；1467；1456；1455；1458；1450；1453；1457；1458；1451；1457；1460
1663；1664；1672；1665；1665；1662；1666；1661；1667；1666；1668；1664；1674；1661；1661；1660；1657；1649；1664；1668
1479
1455
물리화학적 성질
- 녹는점
- 25 ℃ · <25℃
- 끓는 점
- 272.5 · 272.5±20.0℃ (760 Torr)
- 밀도
- 0.807 · 0.807±0.06 g/cm3 (20 ºC 760 Torr)
- 증기압
- 34 Pa · 34Pa at 25℃
- 굴절률
- 1.487 · 1.487 (589.3 nm 18℃)
- FEMA
- 3839 · 3839 | ALPHA-FARNESENE
- 인화점
- 110 °C · 110 °C
- 저장 조건
- 20 °C · −20°C
- 용해도
- 클로로포름(약간), 디클로로메탄(약간)에 용해됨
- 물리적 상태
- Liquid
- 색상
- 무색
- 냄새
- 100 %에서 · 100.00%에서. 우디 감귤류 허브 스위트
안전 및 규제
GHS 분류
GHS Classification
Danger
H304 (97.7%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]；H315 (26.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (24.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P272, P280, P301+P316, P302+P352, P321, P331, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1662 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 Information
Chemical: 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)-
1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10936
Hazard Classes and CategoriesAsp. Tox. 1 (97.7%)；Skin Irrit. 2 (26.4%)；Skin Sens. 1 (24.1%)
규제 정보
Regulatory Information
Chemical: 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)-
1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
화학 및 산업
용도 및 제조
U.S. Production2023: 6,485,697 lb；2022: 5,000,000 - <10,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 5,000,000 - <10,000,000 lb
Consumer UsesIntermediate；Monomers
Industry UsesMonomers；Intermediate
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing；Synthetic Rubber Manufacturing
1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)-: ACTIVE
응용 분야
용도trans-β-Farnesene is a sesquiterpene natural product made my different plants to repel pest aphid species.
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