Basic information
- CAS
17302-37-3- Standard SMILES
CCCCCCCCC(C)(C)C- InChIKey
WBWYXWILSHQILH-UHFFFAOYSA-N- Molecular formula
- C12H26
- Average molar mass
- 170.33 g/mol
- Monoisotopic mass
- 170.20345083
Names & identifiers
- Preferred name
- Decane, 2,2-dimethyl--
- IUPAC
- 2,2-dimethyldecane
- English name
- Dimethyldecane, 2,2-
- Molecular formula
- C12H26
- Molecular weight
- 170.34
Names & synonyms
2,2-DIMETHYLDECANE17302-37-3Decane, 2,2-dimethyl--DTXSID70169496RefChem:585369DTXCID5091987Decane, 2,2-dimethyl-2,2-dimethyl-decaneSCHEMBL814807SCHEMBL875915SCHEMBL957199SCHEMBL1020192
Show more names
DimethyldecaneDimethyldecane, 2,2-
SCHEMBL8350454SCHEMBL8506811SCHEMBL8560947SCHEMBL10572165SCHEMBL11523097SCHEMBL25384912MFCD22380323AKOS030254993
Database identifiers
- CAS
17302-37-3- PubChem CID
- 28459
- DTXSID
DTXSID70169496- Nikkaji
- J124.821I
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 86.7
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -50.8 °C · -50.8°C (estimate)
- Boiling point
- 201 °C · 201°C
- Density
- 0.7406 · 0.7406
- refractive index
- 1.4169 · 1.4169
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Colorless
- Henry's Law Constant
- 9.1 · 9.1×10-7 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 6.567 · 6.567 (est)
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 SummarySee Undecane.
Safety & protection
Protective Action Criteria (PAC)
38 [mg/m3]
420 [mg/m3]
2500 [mg/m3]
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Applications
Uses2,2-Dimethyldecane, is one of the decane isomers, which can be used in pharmaceutical industry and the manufacture of drugs.
Suppliers9 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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