Basic information
- CAS
16736-42-8- Standard SMILES
CC(C)=CCCC=C(C)C- InChIKey
PSOPUECGKNQIPH-UHFFFAOYSA-N- Molecular formula
- C10H18
- Average molar mass
- 138.25 g/mol
- Monoisotopic mass
- 138.14085057
Overview
2,7-Dimethyl-2,6-octadiene has been reported in Solanum lycopersicum with data available.
Names & identifiers
- Preferred name
- 2,7-Dimethyl-2,6-octadiene
- IUPAC
- 2,7-dimethylocta-2,6-diene
- English name
- 2,7-dimethyl-2,6-octadiene
- Molecular formula
- C10H18
- Molecular weight
- 138.25
Names & synonyms
2,7-Dimethyl-2,6-octadiene16736-42-82,7-dimethylocta-2,6-diene2,6-Octadiene, 2,7-dimethyl-DTXSID40333960RefChem:83427DTXCID80285050PSOPUECGKNQIPH-UHFFFAOYSA-NSCHEMBL868859SCHEMBL1276454SCHEMBL19634252,7-dimethyl-octa-2,6-diene
Show more names
3,7-DIMETHYL-2,6-OCTADIEN-1-OLLEMONOLFEMA 2507GERANIOL 60GERANIOL 90GERANIOL 80GERANIOL 70GERANIOL BJGERANIOL 600GERANIOL 902
SCHEMBL28882250AKOS006275111DB-043693
Database identifiers
- CAS
16736-42-8- PubChem CID
- 519299
- DTXSID
DTXSID40333960- Nikkaji
- J125.030B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -74.4 °C · -74.4°C
- Boiling point
- 229 · 229-230 °C(lit.)
- Density
- 0.879 g/mL · 0.879 g/mL at 20 °C(lit.)
- vapor density
- 5.31 · 5.31 (vs air)
- vapor pressure
- 0.2 mm · ~0.2 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.474(lit.)
- Flash point
- 216 °F · 216 °F
- storage temp.
- 2 · 2-8°C
- InChI
- InChI=1S/C10H18/c1-9(2)7-5-6-8-10(3)4/h7-8H,5-6H2,1-4H3
- InChIKey
- PSOPUECGKNQIPH-UHFFFAOYSA-N
- SMILES
- C/C(/C)=C\CC/C=C(/C)\C
- CAS DataBase Reference
- 16736 · 16736-42-8(CAS DataBase Reference)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 1 · 1
- RTECS
- 5830000 · RG5830000
Safety & regulation
Safety data
- wgk
- 1
- rtecs
- RG5830000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Applications
Uses2,7-Dimethyl-2,6-octadiene is widely used in floral-scented daily fragrances, it can also be made into ester fragrances and used in medicine for antibacterial and insecticidal purposes.
Suppliers22 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
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武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
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XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
广州远达新材料有限公司19849939632; 19849939632 · [email protected]
上海珅桔化工有限公司13167128868 13248068001 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
江苏雷恩环保科技有限公司66814573 16651336298 · [email protected]
康迪斯化工（湖北）有限公司18064039730 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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