Basic information
- CAS
4984-01-4- Standard SMILES
C=CC(C)CCCC(C)C- InChIKey
KSXTZYRIJKDCEA-UHFFFAOYSA-N- Molecular formula
- C10H20
- Average molar mass
- 140.27 g/mol
- Monoisotopic mass
- 140.15650064
Names & identifiers
- Preferred name
- 3,7-Dimethyloct-1-ene
- IUPAC
- 3,7-dimethyloct-1-ene
- English name
- 3,7-Dimethyl-1-octene
- Molecular formula
- C10H20
- Molecular weight
- 140.27
Names & synonyms
3,7-DIMETHYL-1-OCTENE3,7-Dimethyloct-1-ene2,6-Dimethyl-7-octene1-Octene, 3,7-dimethyl-DTXSID30871109EINECS 225-635-2RefChem:91896DTXCID80818781225-635-2KSXTZYRIJKDCEA-UHFFFAOYSA-N4984-01-41-Octene,7-dimethyl-
Show more names
NSC157589NSC 157589NSC-157589Diisoamylene3,7-dimethylocteneSCHEMBL386001SCHEMBL670979SCHEMBL4234013
Database identifiers
- CAS
4984-01-4- PubChem CID
- 21085
- DTXSID
DTXSID30871109- EC Number
- 225-635-2
- Nikkaji
- J125.184H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 82
Physicochemical properties
- Melting point
- -56.93 °C · -56.93°C (estimate)
- Boiling point
- 154 · 154-156 °C (lit.)
- Density
- 0.733 g/mL · 0.733 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.417
- Flash point
- 52 °C · 52 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Clear Light Yellow
- Odor
- 100 % · at 100.00 %. woody, piney, herbaceous
- Odor Type
- woody
- InChI
- 1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h5,9-10H,1,6-8H2,2-4H3
- InChIKey
- KSXTZYRIJKDCEA-UHFFFAOYSA-N
- SMILES
- CC(C)CCCC(C)C=C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 10
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3295 3/PG 3
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
Chemistry & industry
Applications
Uses3,7-Dimethyl-1-octene is an intermediate in synthesizing 2,6-Dimethylheptanoyl-CoA Sodium Salt (D487078), a sodium salt analog of 2,6-Dimethylheptanoyl-CoA. It is a specific substrate for long-chain acyl-CoA dehydrogenase (LCAD) which plays a major role in branched-chain fatty acid oxidation.
Upstream & downstream products
Downstream products
Suppliers9 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
BOC Sciences[email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Huida Pharmaceutical Technology (Shanghai) Co., Ltd.
Related reactions
1 records
Compound notes
Loading…