3,4-Dimethylheptane
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Basic information
- CAS
922-28-1- Standard SMILES
CCCC(C)C(C)CC- InChIKey
MAKRYGRRIKSDES-UHFFFAOYSA-N- Molecular formula
- C9H20
- Average molar mass
- 128.25 g/mol
- Monoisotopic mass
- 128.15650064
Overview
3,4-dimethylheptane has been reported in Olea with data available.
Names & identifiers
- Preferred name
- 3,4-Dimethylheptane
- IUPAC
- 3,4-dimethylheptane
- English name
- 3,4-DIMETHYLHEPTANE
- Molecular formula
- C9H20
- Molecular weight
- 128.26
Names & synonyms
3,4-DIMETHYLHEPTANE922-28-1Heptane, 3,4-dimethyl-NSC 158678DTXSID10870796RefChem:91218Heptane, 3,4dimethyl (8CI)DTXCID80818488Heptane, 3,4-dimethyl-(8CI)Heptane, 3,4dimethyl (8CI)(9CI)Heptane, 3,4-dimethyl-(8CI)(9CI)622-297-1
Show more names
heptane,3,4-dimethyl-3,4-Dimethylheptane >3,4-DIMETHYL HEPTANE 99%3,4-Dimethylheptane (2 diasteromeric pairs)
MAKRYGRRIKSDES-UHFFFAOYSA-NMFCD000487363,4-dimethyl-heptane3,4-Dimethylheptane, (D)3,4-Dimethylheptane, (L)NSC158678Heptane,4-dimethyl-Heptane, 3,4-dimethyl- (8CI)(9CI)
Database identifiers
- CAS
922-28-1- PubChem CID
- 13534
- DTXSID
DTXSID10870796- EC Number
- 622-297-1
- Nikkaji
- J100.625H
Properties
Computed structural propertiesFilling in
- 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
- 57.1
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Boiling Point140.60 °C. @ 760.00 mm Hg
Physical DescriptionLiquid; [Chem Service MSDS]
Physicochemical properties
- Melting point
- -102.89 °C · -102.89°C
- Boiling point
- 140 °C · 140 °C
- Density
- 0.73 · 0.73
- refractive index
- 1.409 · 1.4090-1.4120
- solubility
- soluble in Ether,Benzene,Acetone
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 1.4 · 1.4×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
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
Danger
H225 (13%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummarySee Nonane.
Hazard Classes and CategoriesFlam. Liq. 2 (13%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- ridadr
- 1920
- hs_code
- 2901.10.5000
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS09
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H304-H410-H226
- Precautionary statements
- P501-P273-P240-P210-P233-P243-P241-P242-P280-P370+P378-P391-P331-P303+P361+P353-P301+P310-P403+P235-P405
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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