Compound: DODECANE
SMILES: C(CCCCCC)CCCCC
InChIKey: SNRUBQQJIBEYMU-UHFFFAOYSA-N
Synonyms: DODECANE, n-Dodecane, 112-40-3, Dihexyl, Bihexyl, Adakane 12, N-Dodecan, Duodecane, Ba 51-090453, DTXSID0026913, 11A386X1QH, NSC-8714, DTXCID906913, CHEBI:28817, RefChem:5775, 203-967-9, 93685-81-5, dodecan, NSC 8714, MFCD00008969, Dodecane(mixture of isomers), Undecane, methyl-, n-Dodecan [German], Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated, D12, CCRIS 661, HSDB 5133, EINECS 203-967-9, BRN 1697175, Dodekan, normal dodecane, UNII-11A386X1QH, Normal Paraffin M, EINECS 297-629-8, Norpar 13, Dodecane, 99%, 1-DODECANE, DODECANE [HSDB], EC 203-967-9, SCHEMBL3056, SCHEMBL27754, SCHEMBL29351, SCHEMBL43570, SCHEMBL50945, Dodecane, analytical standard, 4-01-00-00498 (Beilstein Handbook Reference), CHEMBL30959, SCHEMBL100509, SCHEMBL101987, SCHEMBL200116, SCHEMBL200533, SCHEMBL319164, SCHEMBL578689, SCHEMBL593732, SCHEMBL593733, SCHEMBL594360, Density Standard 749 kg/m3, Dodecane, anhydrous, >=99%, orb2279169, orb3139591, SCHEMBL2232902, SCHEMBL3690936, SCHEMBL3795128, SCHEMBL3819456, SCHEMBL4144601, SCHEMBL4144629, SCHEMBL5492272, SCHEMBL6861944, SCHEMBL7736558, SCHEMBL9116108, SCHEMBL9669807, SCHEMBL9670448, SCHEMBL9670647, SCHEMBL9788915, SCHEMBL9801164, SCHEMBL9801411, SCHEMBL9801472, SCHEMBL9801520, SCHEMBL9802043, WLN: 12H, CH3(CH2)10CH3, SCHEMBL11016148, SCHEMBL11322062, SCHEMBL11527175, SCHEMBL11539871, SCHEMBL11577896, SCHEMBL11847078, SCHEMBL11848570, SCHEMBL11849988, SCHEMBL11850003, SCHEMBL11852314, SCHEMBL11852431, SCHEMBL11853821, SCHEMBL11856199, SCHEMBL11858536, SCHEMBL11860707, SCHEMBL11860804, SCHEMBL14686457, SCHEMBL14686463, SCHEMBL14688390, MSK3507, NSC8714, CH3-[CH2]10-CH3, Tox21_303615, Dodecane, ReagentPlus(R), >=99%, LMFA11000004, STL280320, Dodecane, technical, >=90% (GC), AKOS015904160, MSK3507-1000M, EBC-618120, HY-W099602, NL01000, NCGC00166012-01, NCGC00257481-01, CAS-112-40-3, DA-16704, LS-14163, CS-0152244, D0968, NS00009666, D5580 n-Dodecane, 1.5% w/w in Isooctane, n-Dodecane Solution in Methanol, 1000ug/mL, C08374, F692153, Q150744, 1310FACD-F2BF-4FD7-BC20-B21DF06EDE79, Dodecane, certified reference material, TraceCERT(R), F0001-0259, Density Standard 749 kg/m3, H&D Fitzgerald Ltd. Quality, InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H
Theoretical properties:
molecular_formula: C12H26
molecular_weight: 170.33 g/mol
exact_mass: 170.203450829 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 9
heavy_atom_count: 12
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
boiling_point: 421.3 °F at 760 mmHg (NTP, 1992)
melting_point: 14.7 °F (NTP, 1992)
density: 0.7487 at 68 °F (NTP, 1992) - Less dense than water; will float
solubility: less than 1 mg/mL at 77 °F (NTP, 1992)
flash_point: 165 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 118 °F ; 0.3 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: Dodecane is a straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger). It has a role as a plant metabolite.
chebi: A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including <em>Zingiber officinale</em> (ginger).
chembl: DODECANE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Dodecane (also known as dihexyl, bihexyl, adakane 12, or duodecane) is an oily liquid n-alkane hydrocarbon with the chemical formula C12H26 (which has 355 isomers).
It is used as a solvent, distillation chaser, and scintillator component. It is used as a diluent for tributyl phosphate (TBP) in nuclear reprocessing plants.