2,4,6-Trimethylheptane
Basic information
- CAS
2613-61-8- Standard SMILES
CC(C)CC(C)CC(C)C- InChIKey
YNLBBDHDNIXQNL-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- 2,4,6-Trimethylheptane
- IUPAC
- 2,4,6-trimethylheptane
- English name
- 2,4,6-Trimethyl heptane
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
2,4,6-Trimethylheptane2613-61-8DTXSID30180763RefChem:82149DTXCID70103254813-803-3YNLBBDHDNIXQNL-UHFFFAOYSA-N2,4,6-TRIMETHYL HEPTANEHeptane, 2,4,6-trimethyl-SCHEMBL599901SCHEMBL1484068SCHEMBL2938153
Show more names
heptane,2,4,6-trimethyl-
SCHEMBL3339089SCHEMBL4654319SCHEMBL5984673SCHEMBL17311857MFCD00048362DB-046843NS00096194EN300-7055778
Database identifiers
- CAS
2613-61-8- PubChem CID
- 137658
- DTXSID
DTXSID30180763- EC Number
- 813-803-3
- Nikkaji
- J853.514K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 62.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -53.99 °C · -53.99°C
- Boiling point
- 147.61 °C · 147.61°C
- Density
- 0.719 · 0.7190
- refractive index
- 1.4048 · 1.4048
- form
- liquid
- color
- Colourless to slightly Yellow
- Henry's Law Constant
- 1.3 · 1.3×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 5.334 · 5.334 (est)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P241-P280
- Hazard Codes
- Xi,F
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, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- hs_code
- 2932209090
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P241-P280
Suppliers
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Related reactions
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Compound notes
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