Alkanes, C11-15-iso-

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  • Identifiers

    CAS number
    90622-58-5

    Molecular formula
    C13H28

    SMILES
    CCCC(C)CC(C)CC(C)CC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 43.55%
    Waxy 42.22%
    Citrus 38.3%
    Fresh 37.94%
    Oily 35.25%
    Green 35.21%
    Floral 31.51%
    Woody 31.22%
    Sweet 28.31%
    Spicy 28.0%

     

    Flavor
    Alkane 23.95%
    Delicate 23.84%
    Fresh 22.49%
    Leathery 22.41%
    Waxy 22.33%
    Yeasty 21.96%
    Bloody 21.34%
    Glue 21.1%
    Skunky 20.91%
    Gasoline 20.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    9.82 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 83.17 ˚C est.

  • Synonyms

    • 90622-58-5
    • EINECS 292-460-6
    • RefChem:554041
    • 292-460-6
    • 3,5,7-Trimethyldecane
    • LOW TOXICITY PROCESSING SOLVENT
    • SCHEMBL3195793
    • DTXSID10880572
    • PEYBKVQWVSPNDC-UHFFFAOYSA-N
    • LMFA11000689
    • NS00012710
    • 127996-02-5
    • 90622-58-5

  • Applications

    Alkanes, C11-15-iso- (CAS 90622-58-5) are primarily used as solvents and processing aids across multiple industries. In coatings and inks, they serve as solvents and diluents for paints, varnishes, and adhesives. In cosmetics and personal care, they are used as solvents/carriers for fragrance oils and other actives, helping to improve solubility. In household products and cleaners, iso-paraffins act as lightweight hydrocarbon solvents for dissolving tough residues. In plastics and polymers processing, they are used as solvents for processing and diluting in manufacturing. In electronics cleaning, iso-paraffinic solvents are used for equipment and sensitive devices due to their lower aromatic content. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5373.14
    methanol 1907.61
    isopropanol 6775.08
    water 0.02
    ethyl acetate 8861.29
    n-propanol 5997.71
    acetone 8888.36
    n-butanol 9298.78
    acetonitrile 3175.12
    DMF 3360.26
    toluene 5959.92
    isobutanol 6282.99
    1,4-dioxane 13172.81
    methyl acetate 4854.34
    THF 26161.72
    2-butanone 8416.92
    n-pentanol 6069.16
    sec-butanol 7366.31
    n-hexane 22159.89
    ethylene glycol 120.93
    NMP 3323.7
    cyclohexane 24455.71
    DMSO 3034.94
    n-butyl acetate 25208.83
    n-octanol 5021.54
    chloroform 9134.68
    n-propyl acetate 7323.48
    acetic acid 1469.51
    dichloromethane 7943.12
    cyclohexanone 14311.4
    propylene glycol 404.49
    isopropyl acetate 8036.46
    DMAc 2779.61
    2-ethoxyethanol 3082.51
    isopentanol 9850.65
    n-heptane 29086.95
    ethyl formate 2986.96
    1,2-dichloroethane 7637.38
    n-hexanol 18161.72
    2-methoxyethanol 3850.67
    isobutyl acetate 5504.1
    tetrachloromethane 3312.92
    n-pentyl acetate 7548.4
    transcutol 11169.23
    n-heptanol 5712.1
    ethylbenzene 3244.22
    MIBK 7734.77
    2-propoxyethanol 10052.3
    tert-butanol 12084.12
    MTBE 23725.3
    2-butoxyethanol 4761.41
    propionic acid 1844.49
    o-xylene 3157.05
    formic acid 95.49
    diethyl ether 24291.17
    m-xylene 4092.87
    p-xylene 4141.19
    chlorobenzene 4140.7
    dimethyl carbonate 715.01
    n-octane 5527.26
    formamide 178.94
    cyclopentanone 9903.67
    2-pentanone 11318.85
    anisole 3270.67
    cyclopentyl methyl ether 16521.21
    gamma-butyrolactone 6039.87
    1-methoxy-2-propanol 4122.32
    pyridine 6440.62
    3-pentanone 7247.96
    furfural 2862.28
    n-dodecane 1868.6
    diethylene glycol 1672.78
    diisopropyl ether 12249.07
    tert-amyl alcohol 9995.26
    acetylacetone 5321.55
    n-hexadecane 2235.31
    acetophenone 1983.37
    methyl propionate 4014.12
    isopentyl acetate 20188.61
    trichloroethylene 7364.22
    n-nonanol 4571.48
    cyclohexanol 10147.36
    benzyl alcohol 1506.93
    2-ethylhexanol 18521.86
    isooctanol 5240.3
    dipropyl ether 35482.31
    1,2-dichlorobenzene 2767.76
    ethyl lactate 944.18
    propylene carbonate 3557.12
    n-methylformamide 1103.79
    2-pentanol 8856.81
    n-pentane 13318.23
    1-propoxy-2-propanol 12564.56
    1-methoxy-2-propyl acetate 8908.3
    2-(2-methoxypropoxy) propanol 2384.88
    mesitylene 3203.71
    ε-caprolactone 9058.9
    p-cymene 4603.07
    epichlorohydrin 7909.11
    1,1,1-trichloroethane 9174.85
    2-aminoethanol 579.12
    morpholine-4-carbaldehyde 3670.87
    sulfolane 4728.36
    2,2,4-trimethylpentane 4265.41
    2-methyltetrahydrofuran 24314.67
    n-hexyl acetate 8898.09
    isooctane 4355.67
    2-(2-butoxyethoxy)ethanol 4131.9
    sec-butyl acetate 5885.73
    tert-butyl acetate 10203.42
    decalin 5396.39
    glycerin 340.45
    diglyme 8325.91
    acrylic acid 745.35
    isopropyl myristate 3707.76
    n-butyric acid 6175.51
    acetyl acetate 3028.92
    di(2-ethylhexyl) phthalate 1330.01
    ethyl propionate 5247.88
    nitromethane 2007.32
    1,2-diethoxyethane 15104.44
    benzonitrile 2768.55
    trioctyl phosphate 1695.74
    1-bromopropane 13241.16
    gamma-valerolactone 7972.7
    n-decanol 3310.86
    triethyl phosphate 2539.02
    4-methyl-2-pentanol 5773.54
    propionitrile 4835.93
    vinylene carbonate 2085.14
    1,1,2-trichlorotrifluoroethane 2380.51
    DMS 1866.97
    cumene 2252.62
    2-octanol 4280.37
    2-hexanone 9606.62
    octyl acetate 3813.63
    limonene 11781.52
    1,2-dimethoxyethane 10531.04
    ethyl orthosilicate 3561.15
    tributyl phosphate 2097.46
    diacetone alcohol 5238.25
    N,N-dimethylaniline 2218.64
    acrylonitrile 2554.93
    aniline 3192.19
    1,3-propanediol 1663.97
    bromobenzene 4946.58
    dibromomethane 8951.68
    1,1,2,2-tetrachloroethane 7050.75
    2-methyl-cyclohexyl acetate 6407.95
    tetrabutyl urea 2489.27
    diisobutyl methanol 8948.15
    2-phenylethanol 3655.34
    styrene 3461.15
    dioctyl adipate 2930.28
    dimethyl sulfate 737.87
    ethyl butyrate 14103.38
    methyl lactate 711.8
    butyl lactate 2773.19
    diethyl carbonate 4878.38
    propanediol butyl ether 2052.0
    triethyl orthoformate 9471.44
    p-tert-butyltoluene 4845.29
    methyl 4-tert-butylbenzoate 2092.64
    morpholine 14426.69
    tert-butylamine 13479.13
    n-dodecanol 2570.66
    dimethoxymethane 4504.28
    ethylene carbonate 2764.41
    cyrene 1136.09
    2-ethoxyethyl acetate 5090.89
    2-ethylhexyl acetate 17657.44
    1,2,4-trichlorobenzene 2704.99
    4-methylpyridine 7701.39
    dibutyl ether 19048.87
    2,6-dimethyl-4-heptanol 8948.15
    DEF 7323.8
    dimethyl isosorbide 4093.41
    tetrachloroethylene 4354.53
    eugenol 1389.4
    triacetin 2618.45
    span 80 2882.06
    1,4-butanediol 557.3
    1,1-dichloroethane 9111.17
    2-methyl-1-pentanol 6090.23
    methyl formate 788.47
    2-methyl-1-butanol 8105.05
    n-decane 4317.91
    butyronitrile 9956.81
    3,7-dimethyl-1-octanol 6566.64
    1-chlorooctane 7167.83
    1-chlorotetradecane 2358.7
    n-nonane 5671.86
    undecane 2639.1
    tert-butylcyclohexane 5225.55
    cyclooctane 9025.22
    cyclopentanol 6673.25
    tetrahydropyran 30051.19
    tert-amyl methyl ether 13837.55
    2,5,8-trioxanonane 3610.17
    1-hexene 24136.41
    2-isopropoxyethanol 3189.95
    2,2,2-trifluoroethanol 243.94
    methyl butyrate 7343.59

    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