Basic information
- CAS
17301-94-9- Standard SMILES
CCCCCC(C)CCC- InChIKey
IALRSQMWHFKJJA-UHFFFAOYSA-N- Molecular formula
- C10.H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Overview
4-methylnonane is an alkane.
Names & identifiers
- Preferred name
- 4-Methylnonane
- IUPAC
- 4-methylnonane
- English name
- 4-Methylnonane
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
4-METHYLNONANENonane, 4-methyl-4-n-MethylnonaneEINECS 241-329-1DTXSID608647664nMethylnonaneNonane, 4methylRefChem:525621DTXCID10813244UN32295241-329-117301-94-9
Show more names
4-Methylnonane>4-METHYLNONANE 98%(±)-nonane,4-methyl-4-Methylnonane in isooctane
MFCD00027289n-C3H7CH(CH3)(CH2)4CH3p-Methylnonane4-Methylnonane, (DL)-8K42DY4JFBSCHEMBL43692(+/-)-nonane,4-methyl-4-METHYLNONANE 98%
Database identifiers
- CAS
17301-94-9- PubChem CID
- 28455
- DTXSID
DTXSID60864766- ChEBI
CHEBI:151111- UNII
- 8K42DY4JFB
- EC Number
- 241-329-1
- Nikkaji
- J130.651K
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 57.1
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
Density0.7323 @ 20°C
Boiling Point165.7 °C @760 [mm Hg]
Melting Point-99 °C
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -98.7 °C · -98.7°C
- Boiling point
- 163 · 163-166 °C (lit.)
- Density
- 0.73 g/mL · 0.73 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.413
- Flash point
- 44 °C · 44°C
- solubility
- soluble in Ether,Benzene,Chloroform
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- 67.79 ug/L · 67.79ug/L(temperature not stated)
- BRN
- 1718841 · 1718841
- Henry's Law Constant
- 1 · 1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3
- InChIKey
- IALRSQMWHFKJJA-UHFFFAOYSA-N
- SMILES
- CCCCCC(C)CCC
- LogP
- 5.646 · 5.646 (est)
- CAS DataBase Reference
- 17301 · 17301-94-9(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Nonane, 4-methyl- (17301-94-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08,GHS02
- Signal word
- Warning
- Hazard statements
- 304 · H304-H226
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 3295 · UN 3295 3/PG 3
- WGK Germany
- 3 · 3
- HS Code
- 2901.1 · 2901.10.5000
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
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 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety & protection
Protective Action Criteria (PAC)
38 [mg/m3]
420 [mg/m3]
2500 [mg/m3]
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3295 3/PG 3
- hs_code
- 2901.10.5000
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS02
- safety_code
- 16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H304-H226
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
Chemistry & industry
Applications
Uses4-Methylnonane is a useful synthetic compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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