8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene
Basic information
- CAS
37839-63-7- Standard SMILES
C=C1C=CC(C(C)C)CCC(C)=CCC1- InChIKey
GAIBLDCXCZKKJE-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)- has been reported in Artemisia princeps, Aster altaicus, and other organisms with data available.
Names & identifiers
- Preferred name
- 8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene
- IUPAC
- 1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
- English name
- germacrene D
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
DTXSID1010199728-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-dieneRefChem:1074722DTXCID8081357437839-63-7Germacrene D (stabilized with hydroquinone)orb1705277SCHEMBL2522883MBA83963YAA98674AKOS028109878NS00067924
Show more names
1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-4(14)GercamreneDgermacrene D5-Germacratriene(Rac)-Germacrene D1(10),4(14),5-Germacratriene
1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene
Database identifiers
- CAS
37839-63-7- PubChem CID
- 91104
- DTXSID
DTXSID101019972
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 279.7 · 279.7±20.0 °C(Predicted)
- Density
- 0.85 · 0.85±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Oil
- LogP
- 6.566 · 6.566 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 I9ATG34E · V2I9ATG34E
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 304 · H304
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H304
Chemistry & industry
Applications
Uses(Rac)-Germacrene D is a natural product that can be isolated from the genus Bursera[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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