Isononanol

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  • Identifiers

    CAS number
    27458-94-2

    Molecular formula
    C9H20O

    SMILES
    CC(C)CCCCCCO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 69.31%
    Oily 62.38%
    Sweet 59.4%
    Rose 57.28%
    Green 54.87%
    Fresh 52.8%
    Waxy 52.6%
    Citrus 50.46%
    Fatty 48.44%
    Herbal 44.54%

     

    Flavor
    Floral 53.91%
    Green 52.02%
    Waxy 51.23%
    Fresh 48.0%
    Citrus 45.8%
    Bitter 43.28%
    Rose 39.51%
    Mushroom 38.11%
    Oily 36.92%
    Aldehydic 36.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.86 (weak base)

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    208°C

    Flash point

    • 84.78 ˚C est.

  • Synonyms

    • Isononyl alcohol
    • Isononanol
    • 27458-94-2
    • KY36Z95MC2
    • NEOFLEX 9
    • EXXAL 9S
    • EXXSOL 9
    • EXXAL 9
    • OXOCOL 900
    • RefChem:923744
    • DTXSID6029753
    • 248-471-3
    • 2430-22-0
    • 7-methyloctan-1-ol
    • 7-Methyloctanol
    • 7-METHYL-1-OCTANOL
    • 7-Methyl-octanol
    • 1-Octanol, 7-methyl-
    • 7-methyl-octan-1-ol
    • Alcohols, C8-10-iso-,C9-rich
    • 7-Methyl-1-octanol;
    • 7-Methyl-1-octyl Alcohol (unlabelled)
    • EINECS 248-471-3
    • BRN 1733654
    • UNII-KY36Z95MC2
    • iso-nonanol
    • iso-nonylalcohol
    • (R)-isononyl alcohol
    • 7-Methyl-1-octyl alcohol
    • EC 248-471-3
    • SCHEMBL61074
    • 4-01-00-01806 (Beilstein Handbook Reference)
    • SCHEMBL1442441
    • SCHEMBL4892706
    • SCHEMBL9805072
    • DTXSID2058675
    • SCHEMBL11230053
    • CHEBI:188348
    • MFCD00055284
    • AKOS006272384
    • FM25915
    • FI146181
    • SY333739
    • DB-265296
    • DB-307375
    • NS00002259
    • D98911
    • A1-21212
    • Q22668724
    • Q27282495
    • 2430-22-0

  • Applications

    Isononanol (CAS 27458-94-2) is a branched C9 primary alcohol widely used as a solvent and processing aid in coatings, inks, cleaners, and adhesive formulations. It serves as an important intermediate for the synthesis of plasticizers such as diisononyl phthalate (DINP) and related esters, which are widely used to enhance flexibility in PVC and other polymers. It is also used as a solvent or carrier in fragrance and cosmetic formulations, and may be incorporated into specialty ester syntheses or high-boiling solvent blends for industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11555.1
    methanol 7511.23
    isopropanol 13482.63
    water 0.26
    ethyl acetate 4797.94
    n-propanol 10402.25
    acetone 7861.08
    n-butanol 10754.99
    acetonitrile 3423.68
    DMF 3135.05
    toluene 982.55
    isobutanol 7995.01
    1,4-dioxane 5489.52
    methyl acetate 2810.06
    THF 11133.73
    2-butanone 5178.78
    n-pentanol 5719.58
    sec-butanol 8420.91
    n-hexane 3148.37
    ethylene glycol 707.24
    NMP 1490.82
    cyclohexane 2521.1
    DMSO 4577.38
    n-butyl acetate 5931.88
    n-octanol 1700.11
    chloroform 4624.87
    n-propyl acetate 3424.74
    acetic acid 3141.16
    dichloromethane 3499.46
    cyclohexanone 5905.91
    propylene glycol 1720.05
    isopropyl acetate 3036.88
    DMAc 1294.45
    2-ethoxyethanol 3677.15
    isopentanol 7886.38
    n-heptane 2288.55
    ethyl formate 2184.03
    1,2-dichloroethane 2939.94
    n-hexanol 8064.26
    2-methoxyethanol 6550.38
    isobutyl acetate 1873.54
    tetrachloromethane 1309.12
    n-pentyl acetate 1984.1
    transcutol 7061.52
    n-heptanol 2370.16
    ethylbenzene 582.03
    MIBK 2877.8
    2-propoxyethanol 6593.38
    tert-butanol 13985.0
    MTBE 8154.87
    2-butoxyethanol 2899.53
    propionic acid 3141.01
    o-xylene 539.58
    formic acid 491.61
    diethyl ether 7910.91
    m-xylene 763.58
    p-xylene 740.21
    chlorobenzene 1069.64
    dimethyl carbonate 343.32
    n-octane 473.14
    formamide 645.8
    cyclopentanone 5002.95
    2-pentanone 5647.55
    anisole 978.94
    cyclopentyl methyl ether 5187.23
    gamma-butyrolactone 3909.53
    1-methoxy-2-propanol 5557.16
    pyridine 2804.25
    3-pentanone 2517.7
    furfural 2045.35
    n-dodecane 179.82
    diethylene glycol 2321.07
    diisopropyl ether 2429.85
    tert-amyl alcohol 7055.29
    acetylacetone 2527.06
    n-hexadecane 203.39
    acetophenone 706.64
    methyl propionate 2344.36
    isopentyl acetate 4311.37
    trichloroethylene 3715.98
    n-nonanol 1326.05
    cyclohexanol 6146.45
    benzyl alcohol 888.66
    2-ethylhexanol 4264.37
    isooctanol 1804.45
    dipropyl ether 7337.73
    1,2-dichlorobenzene 798.53
    ethyl lactate 778.01
    propylene carbonate 1946.9
    n-methylformamide 2034.64
    2-pentanol 7443.01
    n-pentane 2306.61
    1-propoxy-2-propanol 6211.87
    1-methoxy-2-propyl acetate 2725.2
    2-(2-methoxypropoxy) propanol 1053.26
    mesitylene 532.04
    ε-caprolactone 3803.6
    p-cymene 633.66
    epichlorohydrin 4426.74
    1,1,1-trichloroethane 3160.34
    2-aminoethanol 2582.77
    morpholine-4-carbaldehyde 2226.83
    sulfolane 3027.94
    2,2,4-trimethylpentane 610.44
    2-methyltetrahydrofuran 8213.05
    n-hexyl acetate 2287.9
    isooctane 650.92
    2-(2-butoxyethoxy)ethanol 2154.44
    sec-butyl acetate 1998.21
    tert-butyl acetate 2952.48
    decalin 570.11
    glycerin 1327.97
    diglyme 3847.74
    acrylic acid 1423.4
    isopropyl myristate 684.55
    n-butyric acid 7321.36
    acetyl acetate 1253.93
    di(2-ethylhexyl) phthalate 410.43
    ethyl propionate 2157.78
    nitromethane 2880.9
    1,2-diethoxyethane 4183.41
    benzonitrile 1218.96
    trioctyl phosphate 439.28
    1-bromopropane 3889.01
    gamma-valerolactone 5142.58
    n-decanol 895.78
    triethyl phosphate 620.37
    4-methyl-2-pentanol 3115.84
    propionitrile 4065.4
    vinylene carbonate 1276.84
    1,1,2-trichlorotrifluoroethane 2266.5
    DMS 644.02
    cumene 407.23
    2-octanol 1464.02
    2-hexanone 4002.56
    octyl acetate 805.48
    limonene 1566.77
    1,2-dimethoxyethane 5980.65
    ethyl orthosilicate 789.47
    tributyl phosphate 544.32
    diacetone alcohol 2937.15
    N,N-dimethylaniline 527.07
    acrylonitrile 2550.45
    aniline 1457.84
    1,3-propanediol 4431.27
    bromobenzene 1053.13
    dibromomethane 3351.6
    1,1,2,2-tetrachloroethane 3388.79
    2-methyl-cyclohexyl acetate 1470.14
    tetrabutyl urea 608.6
    diisobutyl methanol 2120.82
    2-phenylethanol 1321.9
    styrene 716.07
    dioctyl adipate 759.28
    dimethyl sulfate 400.41
    ethyl butyrate 3438.44
    methyl lactate 782.79
    butyl lactate 1268.38
    diethyl carbonate 1235.36
    propanediol butyl ether 1777.16
    triethyl orthoformate 1934.62
    p-tert-butyltoluene 653.53
    methyl 4-tert-butylbenzoate 672.34
    morpholine 7931.15
    tert-butylamine 10176.1
    n-dodecanol 651.22
    dimethoxymethane 2692.4
    ethylene carbonate 1484.66
    cyrene 652.65
    2-ethoxyethyl acetate 1665.93
    2-ethylhexyl acetate 3088.56
    1,2,4-trichlorobenzene 815.07
    4-methylpyridine 2724.34
    dibutyl ether 3498.6
    2,6-dimethyl-4-heptanol 2120.82
    DEF 3225.63
    dimethyl isosorbide 1487.87
    tetrachloroethylene 2502.4
    eugenol 651.77
    triacetin 963.6
    span 80 1335.67
    1,4-butanediol 1346.56
    1,1-dichloroethane 4447.75
    2-methyl-1-pentanol 3567.95
    methyl formate 1058.8
    2-methyl-1-butanol 6178.81
    n-decane 408.23
    butyronitrile 6307.49
    3,7-dimethyl-1-octanol 1763.5
    1-chlorooctane 1151.57
    1-chlorotetradecane 333.36
    n-nonane 500.42
    undecane 253.89
    tert-butylcyclohexane 664.49
    cyclooctane 682.12
    cyclopentanol 5711.74
    tetrahydropyran 10926.09
    tert-amyl methyl ether 4003.24
    2,5,8-trioxanonane 1715.42
    1-hexene 6151.95
    2-isopropoxyethanol 2616.02
    2,2,2-trifluoroethanol 484.76
    methyl butyrate 3202.14

    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