Dodecane

  • Identifiers

    CAS number
    112-40-3

    Molecular formula
    C12H26

    SMILES
    CCCCCCCCCCCC

    Retention indicies (RI)

    • DB5: 1200.0
    • Carbowax: 1200.0

  • Odor profile

    waxy 59.76%
    sweet 46.26%
    gassy 39.28%
    oily 24.57%
    fatty 19.42%
    fishy 17.64%
    ethereal 16.8%
    clean 16.76%
    citrus 15.53%
    fresh 15.34%

    Scent© AI

  • Properties

    XLogP3-AA
    6.1 Well soluble in IPM, DOA, BB

    Molecular weight
    170.33 g/mol

    Melting points

    • 14.7 °F (NTP, 1992)
    • -9.55 °C
    • Heat of fusion: 36.8 kJ/mol at melting point
    • -9.6 °C

    Boiling points

    • 421.3 °F at 760 mmHg (NTP, 1992)
    • 216.3 °C
    • 215.00 to 217.00 °C. @ 760.00 mm Hg

    Flash points

    • 165 °F (NTP, 1992)
    • 83 °C (181 °F) - closed cup
    • 165 °F (74 °C) (Closed Cup)
    • 71 °C (From table)

    Solubilities

    • less than 1 mg/mL at 77 °F (NTP, 1992)
    • In water, 3.7X10-3 mg/L at 25 °C
    • Very soluble in ethyl alcohol, ethyl ether, acetone, chloroform, carbon tetrachloride
    • In salt water, 0.005 mg/L at 20 °C; in sea water, 0.0029 mg/L; in distilled water at 25 °C, 0.0037 mg/L
    • 3.7e-06 mg/mL at 25 °C

  • Synonyms

    • DODECANE
    • n-Dodecane
    • 112-40-3
    • Dihexyl
    • Bihexyl
    • Adakane 12
    • 93685-81-5
    • N-Dodecan
    • Duodecane
    • Ba 51-090453
    • NSC 8714
    • CCRIS 661
    • dodecan
    • Dodekan
    • HSDB 5133
    • EINECS 203-967-9
    • UNII-11A386X1QH
    • BRN 1697175
    • DTXSID0026913
    • CHEBI:28817
    • 11A386X1QH
    • NSC-8714
    • DTXCID906913
    • EC 203-967-9
    • 4-01-00-00498 (Beilstein Handbook Reference)
    • Undecane, methyl-
    • n-Dodecan [German]
    • CH3-(CH2)10-CH3
    • CH3-[CH2]10-CH3
    • Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated
    • D12
    • MFCD00008969
    • normal dodecane
    • Normal Paraffin M
    • EINECS 297-629-8
    • EINECS 300-199-7
    • Norpar 13
    • Dodecane, 99%
    • Alkane C(12)
    • 1-DODECANE
    • DODECANE [HSDB]
    • C12-N-ALKANE
    • EC 300-199-7
    • Dodecane(mixture of isomers)
    • Dodecane, analytical standard
    • CHEMBL30959
    • Density Standard 749 kg/m3
    • Dodecane, anhydrous, >=99%
    • WLN: 12H
    • CH3(CH2)10CH3
    • NSC8714
    • Tox21_303615
    • Dodecane, ReagentPlus(R), >=99%
    • LMFA11000004
    • STL280320
    • Dodecane, technical, >=90% (GC)
    • AKOS015904160
    • 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
    • C08374
    • 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
    • 203-967-9
1 4

Botanical

Name CAS Botanical Proportion
Balsamite/Costmary Chrysanthemum balsamita L., fam. Asteraceae (Compositae) 0.5%
Bergamot (China) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.03%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.08%
Indian dill Anethum sowa Roxb., fam. Apiaceae (Umbelliferae) 0.05%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.32%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.15%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.01%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.2%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Cedrus atlantica (Morocco) Cedrus atlantica Man., fam. Cupressaceae 0.01%
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 1.09%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 0.01%
Teucrium abutiloides (Madeira) Teucrium abutiloides L'Her., fam. Lamiaceae (Labiatae) 0.01%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.01%
Acacia praecox flower (Argentina) Acacia praecox Gris., fam. Mimosaceae (Leguminosae) 3.5%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Vitex agnus-castus leaf (Italy) Vitex agnus-castus L., fam. Verbenaceae 1.0%
Vitex agnus-castus fruit (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.1%
Vitex agnus-castus inflorescence (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.8%
Lavandula pinnata Lavandula pinnata L. fil va. pinnata, fam Lamiaceae (Labiatae) 0.6%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.01%
Bergamot (China) 6 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.03%
Solanum stuckertii flower Solanum stuckertii Bitter, fam. Solanaceae 0.87%
Solanum incisum flower Solanum incisum Griseb., fam. Solanaceae 0.27%
Phalaenopsis schilleriana headspace Phalaenopsis schilleriana Rehb. f., fam. Orchidaceae 0.5%
Aristolochia brevipes Aristolochia brevipes Benth., fam. Aristolochiaceae 14.0%
Cabore (Brazil) Micrastur ruficolis, fam. Leguminosae (so-called: officially unknown) 0.1%
Fenugreek 1a headspace 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 2.5%
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.01%
Datura flower headspace (Japan) Datura candida (Pers.), fam. Solanaceae 0.55%
Couroupita guianensis flower (Brazil) Couroupita guainensis Auble., fam. Lecythidaceae 0.1%
Eschweilera coriacea flower Eschweilera coriacea (A.P.DC.) Mori, fam. Lecythidaceae 0.5%
Alpinia laosensis (Vietnam) Alpinia laosensis Gagnep., fam. Zingiberaceae 0.8%
Lecythis usitata var. paraensis flower Lecythis usitata Miers. var. paraensis (Ducke) R. Kunth. fam. Lecythidacea 0.2%
Rosemary (Morocco) 2 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.1%
Zataria multiflora (Iran) 3 Zataria multiflora Boiss., fam. Lamiaceae (Labiatae) 9.0%
Dialium guineense fruit Dialium guineense Wild., fam. Cesalpinaceae 5.6%
Inula verbascifolia ssp. parnassica Inula verbascifolia Hausskn., ssp. parnassia Tutin, fam. Asteraceae 0.01%
Melia dubia (India) Melia dubia Cav., fam. Meliaceae 7.56%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.01%
Conobea scopariodes (Brazil) Conobea scoparioides (Cham. & Schtdl.) Benth., fam. Scophulariaceae 0.35%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.13%