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Basic information
- CAS
1002-33-1- Standard SMILES
C=CC=CCCCC- InChIKey
QTYUSOHYEPOHLV-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Overview
Octa-1,3-diene has been reported in Solanum lycopersicum with data available.
Names & identifiers
- Preferred name
- Octa-1,3-diene
- IUPAC
- octa-1,3-diene
- English name
- 1,3-Octadiene
- Molecular formula
- C8H14
- Molecular weight
- 110.2
Names & synonyms
octa-1,3-dieneRefChem:1093736octandienSCHEMBL50222SCHEMBL83503SCHEMBL249627SCHEMBL354311SCHEMBL693136SCHEMBL3669969SCHEMBL7134939SCHEMBL7191516SCHEMBL8166470
Show more names
(E)-1,3-Octadiene1,3-Octadiene1,3-OCTADIENE 98%(3E)-1,3-Octadiene
SCHEMBL16859967FO182266NS00005942
Database identifiers
- CAS
1002-33-1- PubChem CID
- 66084
- DTXSID
DTXSID301317481
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.1
Physicochemical properties
- Boiling point
- 130 · 130-131℃
- Density
- 0.738 · 0.738±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.4501 · 1.4501 (589.3 nm 20℃)
- Flash point
- 17.2 · 17.2±13.0℃
- LogP
- 3.965 · 3.965 (est)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers6 total
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
BOC Sciences[email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
Related reactions
1 records
Compound notes
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