Basic information
- CAS
18794-84-8- Standard SMILES
C=CC(=C)CC/C=C(\C)CCC=C(C)C- InChIKey
JSNRRGGBADWTMC-NTCAYCPXSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Names & identifiers
- Preferred name
- beta-Farnesene
- IUPAC
- (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
- English name
- (E)-BETA-FARNESENE
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
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
Show more names
β-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)-
Database identifiers
- 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
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
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
Physicochemical properties
- Melting point
- 25 ℃ · <25℃
- Boiling point
- 272.5 · 272.5±20.0℃ (760 Torr)
- Density
- 0.807 · 0.807±0.06 g/cm3 (20 ºC 760 Torr)
- vapor pressure
- 34 Pa · 34Pa at 25℃
- refractive index
- 1.487 · 1.487 (589.3 nm 18℃)
- FEMA
- 3839 · 3839 | ALPHA-FARNESENE
- Flash point
- 110 °C · 110 °C
- storage temp.
- 20 °C · −20°C
Safety & regulation
GHS classification
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.
Hazard information
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%)
Regulatory information
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)
Chemistry & industry
Uses & manufacturing
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
Applications
Usestrans-β-Farnesene is a sesquiterpene natural product made my different plants to repel pest aphid species.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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