Basic information
- CAS
502-99-8- Standard SMILES
C=CC(C)=CCCC(=C)C- InChIKey
XJPBRODHZKDRCB-UHFFFAOYSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Overview
3,7-dimethylocta-1,3,7-triene has been reported in Neolitsea aciculata, Zanthoxylum schinifolium, and other organisms with data available.
Names & identifiers
- Preferred name
- 3,7-Dimethylocta-1,3,7-triene
- IUPAC
- 3,7-dimethylocta-1,3,7-triene
- English name
- 3,7-dimethylocta-1,3,7-triene
- Molecular formula
- C10H16
- Molecular weight
- 136.23
Names & synonyms
3,7-Dimethylocta-1,3,7-triene|A-OcimeneSCHEMBL2108765DTXSID9052135DB-322597NS00020825α-OcimeneEinecs 207-957-53,7-dimethyl-1,3,7-octatriene1,3,7-Octatriene, 3,7-dimethylα-ocimene,3,7-dimethyl-1,3,7-octatriene,2,6-dimethyl-1,5,7-octatriene,α-ocimene,ocimene
Database identifiers
- CAS
502-99-8- PubChem CID
- 101720
- DTXSID
DTXSID9052135
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- -27.17 °C · -27.17°C (estimate)
- Boiling point
- 180.55 °C · 180.55°C (estimate)
- Density
- 0.8 · 0.8000
- refractive index
- 1.4862 · 1.4862
- Odor
- 100 % · at 100.00 %. fruity floral wet cloth
- Odor Type
- fruity
- LogP
- 4.142 · 4.142 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 648 Z6YA · ESJ648Z6YA
- EPA Substance Registry System
- 1 · 1,3,7-Octatriene, 3,7-dimethyl- (502-99-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
BOC Sciences[email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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