2-Methyldodecane

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  • Identifiers

    CAS number
    1560-97-0

    Molecular formula
    C13H28

    SMILES
    CCCCCCCCCCC(C)C

    Retention indicies (RI)

    • DB5: 1267.0

  • Odor profile

    Waxy 64.18%
    Sweet 35.37%
    Gassy 31.38%
    Oily 30.33%
    Fatty 23.35%
    Fishy 20.93%
    Fresh 19.42%
    Citrus 17.05%
    Burnt 16.86%
    Clean 16.74%

    Scent© AI

  • Properties

    XLogP3-AA
    7.0

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point est.
    90.95 ˚C

  • Synonyms

    • 2-METHYLDODECANE
    • 1560-97-0
    • Dodecane, 2-methyl-
    • 11-Methyldodecane
    • 2-Methyl-Dodecane
    • UNII-A6360WD7Y3
    • A6360WD7Y3
    • DTXSID20873238
    • Undecane, dimethyl-
    • C12-14 Isoparaffin
    • UNII-WP37Z9V66A
    • Dodecane, 2methyl
    • EINECS 271-369-5
    • EC 271-369-5
    • DTXCID108714
    • WP37Z9V66A
    • AKOS006274877
    • NS00013420
    • Q27273678
    • 680-565-3

  • Applications

    2-Methyldodecane (CAS 1560-97-0) is a C13 isoparaffin with moderate volatility and high chemical inertness, used primarily as a nonpolar solvent and diluent in organic synthesis, as a test medium for coatings, inks, adhesives, and industrial degreasing, and for extracting hydrophobic compounds; analytically, it serves as a calibration/internal standard for hydrocarbon response, GC (Kovats) retention index assignment, column evaluation, GC×GC method development, and petroleum fingerprint standardization; in fuel and combustion research, it is employed as a diesel/jet surrogate component to study oxidation kinetics, ignition delay, sooting tendency, and volatility, enabling development of representative fuels; in lubrication and materials, it represents C13 isoparaffins to tune viscosity, pour point, and volatility, aiding screening of base-oil formulations, metalworking fluids, and as a hydrophobic carrier for pigment/nanoparticle dispersions; it is also used in distillation and property-correlation studies (density, viscosity), flow-tracer experiments in environmental and reservoir systems, and in evaluating partitioning (Kow), transport–persistence, and atmospheric oxidation of branched alkanes for hydrocarbon fate modeling.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1099.0
    methanol 321.47
    isopropanol 1738.03
    water 0.0
    ethyl acetate 4865.72
    n-propanol 1591.96
    acetone 3222.88
    n-butanol 2520.63
    acetonitrile 878.9
    DMF 1148.22
    toluene 3782.07
    isobutanol 1709.16
    1,4-dioxane 5955.15
    methyl acetate 2054.73
    THF 13092.05
    2-butanone 4092.43
    n-pentanol 1956.22
    sec-butanol 2556.35
    n-hexane 11395.58
    ethylene glycol 26.27
    NMP 1602.0
    cyclohexane 14953.78
    DMSO 1626.47
    n-butyl acetate 14540.77
    n-octanol 1916.64
    chloroform 5630.09
    n-propyl acetate 4485.93
    acetic acid 374.59
    dichloromethane 5471.24
    cyclohexanone 7607.32
    propylene glycol 118.49
    isopropyl acetate 4805.95
    DMAc 1340.98
    2-ethoxyethanol 1201.88
    isopentanol 3342.13
    n-heptane 17624.95
    ethyl formate 1043.53
    1,2-dichloroethane 5042.32
    n-hexanol 5347.41
    2-methoxyethanol 1225.2
    isobutyl acetate 3675.07
    tetrachloromethane 1739.63
    n-pentyl acetate 4279.05
    transcutol 7176.78
    n-heptanol 2031.25
    ethylbenzene 2356.88
    MIBK 4618.9
    2-propoxyethanol 3553.6
    tert-butanol 3993.48
    MTBE 11588.04
    2-butoxyethanol 2008.18
    propionic acid 617.77
    o-xylene 2114.51
    formic acid 16.84
    diethyl ether 11255.3
    m-xylene 2393.26
    p-xylene 2769.62
    chlorobenzene 2396.79
    dimethyl carbonate 361.63
    n-octane 3318.43
    formamide 38.88
    cyclopentanone 5224.0
    2-pentanone 5591.65
    anisole 2381.67
    cyclopentyl methyl ether 9812.91
    gamma-butyrolactone 2973.81
    1-methoxy-2-propanol 1623.5
    pyridine 4032.11
    3-pentanone 3860.18
    furfural 1557.79
    n-dodecane 1136.72
    diethylene glycol 604.78
    diisopropyl ether 6781.6
    tert-amyl alcohol 4081.35
    acetylacetone 3271.1
    n-hexadecane 1394.12
    acetophenone 1542.52
    methyl propionate 2090.74
    isopentyl acetate 12373.94
    trichloroethylene 5074.92
    n-nonanol 1992.22
    cyclohexanol 4015.96
    benzyl alcohol 837.79
    2-ethylhexanol 7810.34
    isooctanol 2260.26
    dipropyl ether 25544.23
    1,2-dichlorobenzene 2005.76
    ethyl lactate 633.6
    propylene carbonate 1938.24
    n-methylformamide 292.36
    2-pentanol 3123.07
    n-pentane 5811.58
    1-propoxy-2-propanol 5823.15
    1-methoxy-2-propyl acetate 5432.17
    2-(2-methoxypropoxy) propanol 1657.72
    mesitylene 2007.47
    ε-caprolactone 4883.49
    p-cymene 3277.62
    epichlorohydrin 4656.28
    1,1,1-trichloroethane 6361.32
    2-aminoethanol 136.52
    morpholine-4-carbaldehyde 1904.87
    sulfolane 3135.11
    2,2,4-trimethylpentane 2131.39
    2-methyltetrahydrofuran 12806.7
    n-hexyl acetate 4821.55
    isooctane 2129.78
    2-(2-butoxyethoxy)ethanol 2491.19
    sec-butyl acetate 4261.51
    tert-butyl acetate 6645.93
    decalin 3895.81
    glycerin 115.83
    diglyme 5312.92
    acrylic acid 248.64
    isopropyl myristate 2693.88
    n-butyric acid 2250.07
    acetyl acetate 1807.25
    di(2-ethylhexyl) phthalate 862.58
    ethyl propionate 3843.12
    nitromethane 674.61
    1,2-diethoxyethane 11329.46
    benzonitrile 1484.88
    trioctyl phosphate 963.89
    1-bromopropane 9066.03
    gamma-valerolactone 3939.26
    n-decanol 1498.05
    triethyl phosphate 2266.17
    4-methyl-2-pentanol 2418.77
    propionitrile 1779.18
    vinylene carbonate 1042.32
    1,1,2-trichlorotrifluoroethane 1445.68
    DMS 1300.85
    cumene 1672.56
    2-octanol 1797.44
    2-hexanone 5836.5
    octyl acetate 2375.83
    limonene 8107.49
    1,2-dimethoxyethane 5554.56
    ethyl orthosilicate 2972.21
    tributyl phosphate 1368.13
    diacetone alcohol 3017.1
    N,N-dimethylaniline 1743.54
    acrylonitrile 983.06
    aniline 1665.51
    1,3-propanediol 427.95
    bromobenzene 3317.66
    dibromomethane 5646.37
    1,1,2,2-tetrachloroethane 5494.82
    2-methyl-cyclohexyl acetate 4797.32
    tetrabutyl urea 1759.87
    diisobutyl methanol 5328.93
    2-phenylethanol 1787.9
    styrene 2550.37
    dioctyl adipate 2262.2
    dimethyl sulfate 461.3
    ethyl butyrate 10781.6
    methyl lactate 362.98
    butyl lactate 1548.54
    diethyl carbonate 4002.99
    propanediol butyl ether 873.4
    triethyl orthoformate 7500.83
    p-tert-butyltoluene 3402.25
    methyl 4-tert-butylbenzoate 1568.94
    morpholine 6631.96
    tert-butylamine 4689.34
    n-dodecanol 1283.44
    dimethoxymethane 1933.18
    ethylene carbonate 1369.6
    cyrene 759.29
    2-ethoxyethyl acetate 3164.35
    2-ethylhexyl acetate 11474.95
    1,2,4-trichlorobenzene 2020.27
    4-methylpyridine 4145.66
    dibutyl ether 13437.23
    2,6-dimethyl-4-heptanol 5328.93
    DEF 3811.94
    dimethyl isosorbide 3095.11
    tetrachloroethylene 2965.95
    eugenol 965.75
    triacetin 1941.06
    span 80 1755.15
    1,4-butanediol 155.67
    1,1-dichloroethane 5341.26
    2-methyl-1-pentanol 2573.54
    methyl formate 214.93
    2-methyl-1-butanol 2701.14
    n-decane 2548.81
    butyronitrile 3396.28
    3,7-dimethyl-1-octanol 3535.0
    1-chlorooctane 4666.3
    1-chlorotetradecane 1579.42
    n-nonane 3139.93
    undecane 1610.07
    tert-butylcyclohexane 3318.6
    cyclooctane 5481.75
    cyclopentanol 2593.34
    tetrahydropyran 15802.12
    tert-amyl methyl ether 7827.88
    2,5,8-trioxanonane 2663.02
    1-hexene 13483.3
    2-isopropoxyethanol 1479.08
    2,2,2-trifluoroethanol 68.06
    methyl butyrate 4763.08

    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
St. John's wort (Italy) 1a oil 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 1.2%
St. John's wort (Yugoslavia) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 4.5%