2,6-Dimethylundecane
Basic information
- CAS
17301-23-4- Standard SMILES
CCCCCC(C)CCCC(C)C- InChIKey
MFUPKUZLTKVMFM-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 2,6-Dimethylundecane
- IUPAC
- 2,6-dimethylundecane
- English name
- 2,6-DIMETHYLUNDECANE
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
2,6-DIMETHYLUNDECANE17301-23-4Undecane, 2,6-dimethyl-UNII-69DSN599IC69DSN599ICDTXSID2058623Undecane, 2,6dimethylRefChem:83345DTXCID0032310MFUPKUZLTKVMFM-UHFFFAOYSA-N2,6-dimethyl-undecane2,6-Dimethylundecan
Show more names
2,6-Dimethylundecene2,6-Dimethtyl-undecane2,6-Dimethylundecane in isooctane
SCHEMBL1615056SCHEMBL4452485SCHEMBL7094517SCHEMBL7269036SCHEMBL11529584SCHEMBL28153729MFCD00048876D6504
Database identifiers
- CAS
17301-23-4- PubChem CID
- 28453
- DTXSID
DTXSID2058623- UNII
- 69DSN599IC
- Nikkaji
- J99.434K
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 94.2
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
Physicochemical properties
- Boiling point
- 224 · 224-225 °C(Press: 737 Torr)
- Density
- 0.8151 g/cm3 · 0.8151 g/cm3
- FDA UNII
- 69 DSN599IC · 69DSN599IC
- EPA Substance Registry System
- 2 · Undecane, 2,6-dimethyl- (17301-23-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- Hazard Codes
- Xi,F
- HS Code
- 2901100000 · 2901100000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryOverexposure may cause skin and eye irritation; May have anesthetic effects (drowsiness, dizziness, and headache); [ChemSampCo MSDS]
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- hs_code
- 2901100000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,F
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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