Dodecane

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  • Identifiers

    CAS number
    112-40-3

    Molecular formula
    C12H26

    SMILES
    CCCCCCCCCCCC

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • 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

    Odor threshold

    • Odor Threshold Low: 5.31 [mmHg]. [ChemIDplus] Odor threshold from HSDB
    • 37 mg/cu m

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    9.12 (weak base)

    Molecular weight
    170.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

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

    Boiling point

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

    Flash point est.
    80.95 ˚C

    Flash point expt.

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

    Solubility expt.

    • 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

  • Applications

    Dodecane (CAS 112-40-3) is a straight-chain C12 hydrocarbon with a high boiling point and chemical inertness, widely used as a nonpolar solvent and diluent in organic synthesis, surface treatment, and the formulation of coatings, inks, adhesives, metalworking fluids, and lubricant additives; as a continuous phase/carrier oil in microfluidics and emulsions (including Pickering emulsions) for extraction, microreactors, and microencapsulation; as an n-alkane standard in gas chromatography for retention index determination and detector calibration; as a benchmark fluid in heat and mass transfer, droplet evaporation, spray, and combustion studies, and as a component of surrogate diesel/jet fuels for engine modeling; as a test solvent for polymers, porous materials, and interfacial studies due to its low polarity and surface tension; and as a carrier/diluent for hydrophobic flavors or actives as well as a model compound in environmental assessments of hydrocarbon fate and biodegradation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 495.82
    methanol 181.7
    isopropanol 837.73
    water 0.0
    ethyl acetate 3169.65
    n-propanol 824.62
    acetone 2167.09
    n-butanol 1293.18
    acetonitrile 664.51
    DMF 1047.36
    toluene 2786.62
    isobutanol 910.36
    1,4-dioxane 3973.0
    methyl acetate 1491.25
    THF 9879.89
    2-butanone 2611.31
    n-pentanol 976.25
    sec-butanol 1279.2
    n-hexane 6872.68
    ethylene glycol 20.6
    NMP 1774.16
    cyclohexane 11339.54
    DMSO 1464.77
    n-butyl acetate 9025.09
    n-octanol 1123.83
    chloroform 5024.35
    n-propyl acetate 2959.0
    acetic acid 312.59
    dichloromethane 4816.03
    cyclohexanone 5994.5
    propylene glycol 78.24
    isopropyl acetate 2945.34
    DMAc 1104.3
    2-ethoxyethanol 689.31
    isopentanol 1680.08
    n-heptane 12752.3
    ethyl formate 795.9
    1,2-dichloroethane 4347.4
    n-hexanol 2774.03
    2-methoxyethanol 745.38
    isobutyl acetate 2289.84
    tetrachloromethane 1848.72
    n-pentyl acetate 2967.26
    transcutol 3966.62
    n-heptanol 1173.6
    ethylbenzene 1735.2
    MIBK 2783.42
    2-propoxyethanol 1983.93
    tert-butanol 2114.6
    MTBE 5653.75
    2-butoxyethanol 1230.3
    propionic acid 501.71
    o-xylene 1673.73
    formic acid 14.46
    diethyl ether 6364.28
    m-xylene 1745.76
    p-xylene 2111.01
    chlorobenzene 2257.63
    dimethyl carbonate 348.42
    n-octane 2450.37
    formamide 35.43
    cyclopentanone 4962.49
    2-pentanone 3562.92
    anisole 1769.03
    cyclopentyl methyl ether 6883.09
    gamma-butyrolactone 3122.64
    1-methoxy-2-propanol 1011.49
    pyridine 3437.29
    3-pentanone 2834.09
    furfural 1608.37
    n-dodecane 784.48
    diethylene glycol 399.85
    diisopropyl ether 3704.15
    tert-amyl alcohol 2145.18
    acetylacetone 2449.58
    n-hexadecane 972.89
    acetophenone 1329.44
    methyl propionate 1552.2
    isopentyl acetate 7012.74
    trichloroethylene 4972.33
    n-nonanol 1163.91
    cyclohexanol 2637.54
    benzyl alcohol 648.0
    2-ethylhexanol 4268.28
    isooctanol 1351.59
    dipropyl ether 16405.61
    1,2-dichlorobenzene 2032.55
    ethyl lactate 501.9
    propylene carbonate 1952.78
    n-methylformamide 253.66
    2-pentanol 1688.43
    n-pentane 3774.0
    1-propoxy-2-propanol 3456.15
    1-methoxy-2-propyl acetate 3265.05
    2-(2-methoxypropoxy) propanol 1054.04
    mesitylene 1504.02
    ε-caprolactone 3790.91
    p-cymene 2347.32
    epichlorohydrin 3911.05
    1,1,1-trichloroethane 5965.98
    2-aminoethanol 90.63
    morpholine-4-carbaldehyde 1590.04
    sulfolane 3570.2
    2,2,4-trimethylpentane 1301.66
    2-methyltetrahydrofuran 8834.21
    n-hexyl acetate 3008.64
    isooctane 1298.37
    2-(2-butoxyethoxy)ethanol 1481.58
    sec-butyl acetate 2695.09
    tert-butyl acetate 3927.56
    decalin 2848.29
    glycerin 87.58
    diglyme 3433.99
    acrylic acid 248.58
    isopropyl myristate 1746.01
    n-butyric acid 1577.2
    acetyl acetate 1461.74
    di(2-ethylhexyl) phthalate 648.29
    ethyl propionate 2707.82
    nitromethane 620.51
    1,2-diethoxyethane 6517.87
    benzonitrile 1265.95
    trioctyl phosphate 679.7
    1-bromopropane 6791.98
    gamma-valerolactone 3314.95
    n-decanol 876.89
    triethyl phosphate 1802.62
    4-methyl-2-pentanol 1290.9
    propionitrile 1312.23
    vinylene carbonate 1090.5
    1,1,2-trichlorotrifluoroethane 1364.1
    DMS 1060.43
    cumene 1209.85
    2-octanol 1121.32
    2-hexanone 3576.11
    octyl acetate 1582.08
    limonene 5506.82
    1,2-dimethoxyethane 3508.43
    ethyl orthosilicate 2161.56
    tributyl phosphate 1031.42
    diacetone alcohol 1915.46
    N,N-dimethylaniline 1312.01
    acrylonitrile 845.41
    aniline 1283.43
    1,3-propanediol 260.29
    bromobenzene 3269.32
    dibromomethane 4948.49
    1,1,2,2-tetrachloroethane 5290.93
    2-methyl-cyclohexyl acetate 3355.18
    tetrabutyl urea 1352.82
    diisobutyl methanol 3495.54
    2-phenylethanol 1173.45
    styrene 2000.94
    dioctyl adipate 1675.19
    dimethyl sulfate 540.4
    ethyl butyrate 7383.19
    methyl lactate 304.6
    butyl lactate 1110.23
    diethyl carbonate 3020.63
    propanediol butyl ether 561.2
    triethyl orthoformate 5017.18
    p-tert-butyltoluene 2400.55
    methyl 4-tert-butylbenzoate 1255.47
    morpholine 4181.17
    tert-butylamine 2579.51
    n-dodecanol 749.78
    dimethoxymethane 1352.63
    ethylene carbonate 1330.06
    cyrene 663.41
    2-ethoxyethyl acetate 2042.83
    2-ethylhexyl acetate 6705.74
    1,2,4-trichlorobenzene 2050.75
    4-methylpyridine 3164.95
    dibutyl ether 8315.18
    2,6-dimethyl-4-heptanol 3495.54
    DEF 2871.35
    dimethyl isosorbide 2367.78
    tetrachloroethylene 3063.33
    eugenol 787.9
    triacetin 1478.19
    span 80 1234.16
    1,4-butanediol 99.22
    1,1-dichloroethane 4368.02
    2-methyl-1-pentanol 1252.13
    methyl formate 216.07
    2-methyl-1-butanol 1378.94
    n-decane 1775.85
    butyronitrile 2230.69
    3,7-dimethyl-1-octanol 1959.47
    1-chlorooctane 3092.75
    1-chlorotetradecane 1088.91
    n-nonane 2198.37
    undecane 1103.02
    tert-butylcyclohexane 2302.32
    cyclooctane 4071.6
    cyclopentanol 2031.87
    tetrahydropyran 10373.15
    tert-amyl methyl ether 4291.98
    2,5,8-trioxanonane 1826.51
    1-hexene 7634.53
    2-isopropoxyethanol 841.26
    2,2,2-trifluoroethanol 74.69
    methyl butyrate 3464.06

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Anise herb 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.18%
Pimpinella major root Pimpinella major (L.) Hudson, fam. Apiaceae (Umbelliferae) 2.1%
Pimpinella saxifraga root Pimpinella saxifraga L., fam. Apiaceae (Umbelliferae) 8.89%
Pimpinella saxifraga ssp. nigra, root Pimpinella saxifraga (L.) ssp. nigra Mill., fam. Apiaceae (Umbelliferae) 17.71%
Thymus pulegioides (Italy) Thymus pulegioides L., fam. Lamiaceae (Labiatae) 1.0%