2,3-Dimethylheptane
Basic information
- CAS
3074-71-3- Standard SMILES
CCCCC(C)C(C)C- InChIKey
WBRFDUJXCLCKPX-UHFFFAOYSA-N- Molecular formula
- C9H20
- Average molar mass
- 128.25 g/mol
- Monoisotopic mass
- 128.15650064
Names & identifiers
- Preferred name
- 2,3-Dimethylheptane
- IUPAC
- 2,3-dimethylheptane
- English name
- 2,3-Dimethylheptane
- Molecular formula
- C9H20
- Molecular weight
- 128.26
Names & synonyms
2,3-Dimethylheptane3074-71-3Heptane, 2,3-dimethyl-MFCD000488192,3-dimethyl-heptaneSCHEMBL82324SCHEMBL823252,3-DIMETHYLHHEPTANE2,3-Dimethylheptane, 98%SCHEMBL101976SCHEMBL102615SCHEMBL127195
Show more names
2,3-Dimethylheptane >2 3-DIMETHYLHEPTANE 97%2,3-DIMETHYLHEPTANE 99+%HEPTANE,2,3-DIMETHYL-(SUR)
SCHEMBL232165SCHEMBL743494SCHEMBL1524601SCHEMBL4618494SCHEMBL4619136SCHEMBL5984754SCHEMBL6243155SCHEMBL9748018
Database identifiers
- CAS
3074-71-3- PubChem CID
- 26375
- DTXSID
DTXSID30871008- EC Number
- 679-707-7
- Nikkaji
- J125.036A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 55.1
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -112.99 °C · -112.99°C
- Boiling point
- 140 °C · 140 °C
- Density
- 0.73 · 0.73
- refractive index
- 1.41 · 1.41
- Flash point
- 26 °C · 26 °C
- solubility
- soluble in Ether,Alcohol,Benzene,Acetone
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- 251.2 ug/L · 251.2ug/L(temperature not stated)
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
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Danger
H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Nonane.
Hazard Classes and CategoriesFlam. Liq. 3 (25%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- wgk
- 3
- ridadr
- 1920
- hs_code
- 2901.10.5000
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS09
- hazard_class
- 3
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H304-H410-H226
Chemistry & industry
Applications
Uses2,3-Dimethylheptane is a branched saturated aliphatic hydrocarbon. It is one of the isomer of nonane. Henry′s law constant (solubility) of 2,3-dimethylheptane has been analyzed using characteristic and counting polynomials. Its standard heat of formation, combustion and vapourization at 25°C has been calculated.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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