2-Methyldecalin

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  • Identifiers

    CAS number
    2958-76-1

    Molecular formula
    C11H20

    SMILES
    CC1CCC2CCCCC2C1

    Safety labels

  • Odor profile

    Fragrance
    Woody 42.77%
    Dry 39.96%
    Citrus 37.7%
    Sweet 35.93%
    Amber 33.23%
    Musk 31.85%
    Fresh 24.32%
    Clean 24.22%
    Animal 23.7%
    Waxy 23.61%

     

    Flavor
    Animal 21.95%
    Alkaline 21.31%
    Shrimp 20.5%
    Beet 20.23%
    Soil 20.0%
    Old paper 19.93%
    Terpenic 19.72%
    Fir needle 19.64%
    Sweet 19.5%
    Ammoniacal 19.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    9.51 (weak base)

    Molecular weight
    152.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    202°C

    Flash point

    • 66.46 ˚C est.

  • Synonyms

    • 2-Methyldecalin
    • 2958-76-1
    • Naphthalene, decahydro-2-methyl-
    • 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
    • DTXSID20873314
    • 2Methyldecalin
    • RefChem:476039
    • DTXCID50820811
    • NAPHTHALENE,DECAHYDRO-2-METHYL-
    • Decahydro-2-methylnaphthalene
    • 2-Methyldecahydronaphthalene
    • 14398-71-1
    • trans-Decalin, 2-methyl-
    • 2-METHYL-DECAHYDRONAPHTHALENE
    • 2-Methyldecahydronaphthalene #
    • SCHEMBL2252062
    • SCHEMBL3182540
    • SCHEMBL4060880
    • 3-methylbicyclo[4.4.0]decane
    • GREARFRXIFVLGB-UHFFFAOYSA-N
    • Naphthalene, decahydro-2-methyl-, (2alpha,4aalpha,8abeta)-
    • MFCD01712811
    • AS-76698
    • NS00096217
    • D93419
    • Naphthalene,decahydro-2-methyl-(2.alpha.,4a.alpha.,8a.beta.
    • 2958-76-1

  • Applications

    2-Methyldecalin (CAS 2958-76-1) is an alicyclic hydrocarbon bearing a methyl substituent at position 2. In practice, it is used primarily as a fragrance ingredient and fixative in perfumery, and may function as a non-polar solvent or carrier in cosmetics and household products. It is also used as a solvent or processing intermediate in industrial manufacturing and chemical synthesis. In the polymers/plastics and coatings/inks sectors, it can serve as a solvent or processing aid. Additionally, it may be used as a cleaning solvent in certain formulations, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 621.28
    methanol 243.24
    isopropanol 805.6
    water 0.05
    ethyl acetate 1637.81
    n-propanol 787.92
    acetone 1301.1
    n-butanol 1000.14
    acetonitrile 1025.5
    DMF 591.17
    toluene 1728.72
    isobutanol 686.53
    1,4-dioxane 2599.49
    methyl acetate 1064.88
    THF 3970.66
    2-butanone 1437.79
    n-pentanol 550.01
    sec-butanol 765.2
    n-hexane 974.8
    ethylene glycol 33.43
    NMP 599.38
    cyclohexane 1930.85
    DMSO 666.03
    n-butyl acetate 3755.62
    n-octanol 670.48
    chloroform 3077.9
    n-propyl acetate 1109.85
    acetic acid 301.25
    dichloromethane 2875.18
    cyclohexanone 2367.45
    propylene glycol 85.49
    isopropyl acetate 1135.35
    DMAc 462.12
    2-ethoxyethanol 402.44
    isopentanol 891.93
    n-heptane 2065.29
    ethyl formate 799.09
    1,2-dichloroethane 1912.69
    n-hexanol 1840.2
    2-methoxyethanol 591.42
    isobutyl acetate 756.91
    tetrachloromethane 872.69
    n-pentyl acetate 1090.45
    transcutol 2015.22
    n-heptanol 710.99
    ethylbenzene 689.61
    MIBK 960.99
    2-propoxyethanol 1380.22
    tert-butanol 1036.26
    MTBE 1706.18
    2-butoxyethanol 700.03
    propionic acid 447.48
    o-xylene 767.04
    formic acid 24.88
    diethyl ether 2371.44
    m-xylene 986.79
    p-xylene 731.36
    chlorobenzene 1364.2
    dimethyl carbonate 254.74
    n-octane 519.06
    formamide 55.24
    cyclopentanone 2075.94
    2-pentanone 1515.65
    anisole 820.08
    cyclopentyl methyl ether 2055.72
    gamma-butyrolactone 1663.77
    1-methoxy-2-propanol 688.21
    pyridine 2127.97
    3-pentanone 1138.68
    furfural 1024.55
    n-dodecane 255.57
    diethylene glycol 371.06
    diisopropyl ether 930.2
    tert-amyl alcohol 737.95
    acetylacetone 1059.99
    n-hexadecane 302.2
    acetophenone 548.8
    methyl propionate 875.77
    isopentyl acetate 2601.93
    trichloroethylene 2343.36
    n-nonanol 602.72
    cyclohexanol 1189.51
    benzyl alcohol 376.59
    2-ethylhexanol 1673.27
    isooctanol 585.08
    dipropyl ether 3636.05
    1,2-dichlorobenzene 1038.84
    ethyl lactate 220.54
    propylene carbonate 1144.9
    n-methylformamide 282.57
    2-pentanol 825.87
    n-pentane 911.84
    1-propoxy-2-propanol 1631.98
    1-methoxy-2-propyl acetate 1463.25
    2-(2-methoxypropoxy) propanol 503.36
    mesitylene 708.61
    ε-caprolactone 1736.7
    p-cymene 898.3
    epichlorohydrin 1907.29
    1,1,1-trichloroethane 2220.73
    2-aminoethanol 114.45
    morpholine-4-carbaldehyde 776.63
    sulfolane 1283.6
    2,2,4-trimethylpentane 265.61
    2-methyltetrahydrofuran 3055.7
    n-hexyl acetate 1243.39
    isooctane 321.02
    2-(2-butoxyethoxy)ethanol 781.22
    sec-butyl acetate 723.5
    tert-butyl acetate 1117.78
    decalin 483.9
    glycerin 89.26
    diglyme 1607.86
    acrylic acid 242.82
    isopropyl myristate 637.0
    n-butyric acid 1066.27
    acetyl acetate 790.4
    di(2-ethylhexyl) phthalate 303.75
    ethyl propionate 856.58
    nitromethane 583.06
    1,2-diethoxyethane 2350.69
    benzonitrile 946.18
    trioctyl phosphate 290.18
    1-bromopropane 2508.01
    gamma-valerolactone 1723.03
    n-decanol 471.8
    triethyl phosphate 509.9
    4-methyl-2-pentanol 517.53
    propionitrile 1377.33
    vinylene carbonate 886.26
    1,1,2-trichlorotrifluoroethane 574.74
    DMS 522.9
    cumene 441.06
    2-octanol 498.82
    2-hexanone 1110.05
    octyl acetate 644.4
    limonene 1502.5
    1,2-dimethoxyethane 1403.05
    ethyl orthosilicate 562.74
    tributyl phosphate 397.88
    diacetone alcohol 657.21
    N,N-dimethylaniline 464.76
    acrylonitrile 979.08
    aniline 956.93
    1,3-propanediol 281.72
    bromobenzene 1767.22
    dibromomethane 2664.94
    1,1,2,2-tetrachloroethane 1843.16
    2-methyl-cyclohexyl acetate 882.87
    tetrabutyl urea 462.79
    diisobutyl methanol 1001.25
    2-phenylethanol 757.67
    styrene 824.0
    dioctyl adipate 566.92
    dimethyl sulfate 254.6
    ethyl butyrate 2115.46
    methyl lactate 205.4
    butyl lactate 475.44
    diethyl carbonate 1014.18
    propanediol butyl ether 371.75
    triethyl orthoformate 1201.62
    p-tert-butyltoluene 820.11
    methyl 4-tert-butylbenzoate 519.44
    morpholine 2324.88
    tert-butylamine 997.62
    n-dodecanol 391.49
    dimethoxymethane 919.29
    ethylene carbonate 974.49
    cyrene 295.98
    2-ethoxyethyl acetate 926.0
    2-ethylhexyl acetate 2169.53
    1,2,4-trichlorobenzene 949.41
    4-methylpyridine 1957.03
    dibutyl ether 2083.89
    2,6-dimethyl-4-heptanol 1001.25
    DEF 1073.39
    dimethyl isosorbide 1043.47
    tetrachloroethylene 1216.11
    eugenol 383.49
    triacetin 614.24
    span 80 538.68
    1,4-butanediol 95.83
    1,1-dichloroethane 2172.06
    2-methyl-1-pentanol 487.32
    methyl formate 244.13
    2-methyl-1-butanol 733.29
    n-decane 479.62
    butyronitrile 1824.94
    3,7-dimethyl-1-octanol 789.06
    1-chlorooctane 1036.85
    1-chlorotetradecane 384.74
    n-nonane 564.19
    undecane 331.94
    tert-butylcyclohexane 408.26
    cyclooctane 787.5
    cyclopentanol 1022.61
    tetrahydropyran 4009.39
    tert-amyl methyl ether 988.92
    2,5,8-trioxanonane 941.73
    1-hexene 1623.63
    2-isopropoxyethanol 385.34
    2,2,2-trifluoroethanol 81.52
    methyl butyrate 1130.59

    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