Basic information
- CAS
2051-30-1- Standard SMILES
CCC(C)CCCC(C)C- InChIKey
ZALHPSXXQIPKTQ-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- 2,6-Dimethyloctane
- IUPAC
- 2,6-dimethyloctane
- English name
- 2,6-Dimethyloctane
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
2,6-DIMETHYLOCTANE2051-30-1Octane, 2,6-dimethyl-DTXSID7058628Octane, 2,6dimethylRefChem:445734DTXCID5032315623-659-1InChI=1/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4HMyrcaneMFCD00042892NSC91459
Show more names
dimethyloctaneoctane,2,6-dimethyl-tetrahydrocitronellene2,6-Dimethyloctane >2,6-DIMETHYLOCTANE 95+%2,6-Dimethyloctane in isooctane
NSC 91459Octane,6-dimethyl-SCHEMBL93604SCHEMBL93800SCHEMBL306582SCHEMBL988399SCHEMBL991654SCHEMBL1419755
Database identifiers
- CAS
2051-30-1- PubChem CID
- 16319
- DTXSID
DTXSID7058628- EC Number
- 623-659-1
- Nikkaji
- J150C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 64.4
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
Physical DescriptionVery faintly yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -53.15 °C · -53.15°C
- Boiling point
- 158 °C · 158°C
- Density
- 0 · 0,73 g/cm3
- refractive index
- 1.399 · 1.3990-1.4130
- Flash point
- 34 °C · 34°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- 89.16 ug/L · 89.16ug/L(temperature not stated)
- Henry's Law Constant
- 1 · 1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- InChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3
- InChIKey
- ZALHPSXXQIPKTQ-UHFFFAOYSA-N
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 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationOctane, 2,6-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- ridadr
- 3295
- hs_code
- 2901.10.5000
- risk_code
- 10
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- safety_code
- 16
- hazard_class
- 3
- packing_group
- III
Chemistry & industry
Applications
Uses2,6-Dimethyloctane is used as a diesel fuel additive and as a chemical reaction reagent or product. Optically active 6-chloro-2,6-dimethyloctane is capable of being reduced to 2,6-dimethyloctane in alkali metal solutions in liquid ammonia, and its primary configuration remains unchanged[1-2].
UsesMyrcane is a useful synthetic intermediate. It was used to synthesize alcohols via C-H hydroxylation of alicyclic and aliphatics compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers35 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
1 records
Compound notes
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