1-Nonen-3-ol, 3-methyl-

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  • Identifiers

    CAS number
    22616-15-5

    Molecular formula
    C10H20O

    SMILES
    CCCCCCC(C)(C=C)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 70.33%
    Fresh 60.35%
    Green 57.87%
    Citrus 54.8%
    Herbal 54.03%
    Sweet 52.67%
    Woody 51.34%
    Earthy 46.65%
    Rose 45.76%
    Waxy 42.46%

     

    Flavor
    Green 72.37%
    Floral 71.66%
    Woody 60.42%
    Citrus 52.57%
    Sweet 46.21%
    Waxy 44.9%
    Fresh 42.22%
    Herbal 41.67%
    Earthy 38.47%
    Lily 37.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.59 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    197°C

    Flash point

    • 82.61 ˚C est.

  • Synonyms

    • 3-Methyl-1-nonen-3-ol
    • 1-Nonen-3-ol, 3-methyl-
    • AI3-24900
    • DTXSID90884896
    • RefChem:76638
    • DTXCID50857021
    • 3-methylnon-1-en-3-ol
    • 22616-15-5
    • SCHEMBL4591909
    • SCHEMBL11661851
    • AKOS006272703
    • 22616-15-5

  • Applications

    1-Nonen-3-ol, 3-methyl- (CAS 22616-15-5) is primarily used as a building block in fragrance and flavor chemistry, serving as a precursor for the synthesis of specialty esters and aroma compounds that contribute green and fruity notes. It is commonly evaluated for use as a fragrance ingredient in cosmetics and personal care products, and may be employed as an aroma component in flavor formulations. In household products, it can function as a fragrance or odorant additive; in industrial manufacturing it serves as an intermediate for the synthesis of specialty chemicals and polymers; and in coatings, inks, and adhesives it can act as a reactive intermediate or co-solvent within regulated formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3175.46
    methanol 2627.42
    isopropanol 3247.49
    water 0.34
    ethyl acetate 2250.12
    n-propanol 2819.94
    acetone 2270.26
    n-butanol 3388.51
    acetonitrile 1059.1
    DMF 1311.03
    toluene 795.58
    isobutanol 2405.02
    1,4-dioxane 2909.65
    methyl acetate 1487.15
    THF 4580.91
    2-butanone 2206.23
    n-pentanol 2151.54
    sec-butanol 2983.25
    n-hexane 2504.38
    ethylene glycol 220.01
    NMP 936.03
    cyclohexane 1530.57
    DMSO 1358.51
    n-butyl acetate 2897.93
    n-octanol 1178.98
    chloroform 2109.93
    n-propyl acetate 1563.98
    acetic acid 841.41
    dichloromethane 1393.75
    cyclohexanone 2457.33
    propylene glycol 527.8
    isopropyl acetate 1739.54
    DMAc 1017.98
    2-ethoxyethanol 1476.03
    isopentanol 3201.36
    n-heptane 1237.73
    ethyl formate 786.22
    1,2-dichloroethane 1227.73
    n-hexanol 3782.13
    2-methoxyethanol 2127.46
    isobutyl acetate 1041.77
    tetrachloromethane 626.88
    n-pentyl acetate 1246.32
    transcutol 4429.98
    n-heptanol 1217.54
    ethylbenzene 538.89
    MIBK 1489.69
    2-propoxyethanol 2841.12
    tert-butanol 4252.76
    MTBE 4830.12
    2-butoxyethanol 1258.78
    propionic acid 1010.84
    o-xylene 522.16
    formic acid 187.62
    diethyl ether 4146.13
    m-xylene 631.95
    p-xylene 652.33
    chlorobenzene 690.1
    dimethyl carbonate 238.17
    n-octane 326.07
    formamide 228.55
    cyclopentanone 2006.07
    2-pentanone 2359.79
    anisole 732.61
    cyclopentyl methyl ether 2537.88
    gamma-butyrolactone 1575.32
    1-methoxy-2-propanol 2005.79
    pyridine 1424.18
    3-pentanone 1355.83
    furfural 954.02
    n-dodecane 149.67
    diethylene glycol 1032.48
    diisopropyl ether 1574.91
    tert-amyl alcohol 3555.52
    acetylacetone 1164.32
    n-hexadecane 169.18
    acetophenone 549.3
    methyl propionate 1231.21
    isopentyl acetate 2429.44
    trichloroethylene 1607.2
    n-nonanol 970.5
    cyclohexanol 2389.96
    benzyl alcohol 569.57
    2-ethylhexanol 2315.94
    isooctanol 991.39
    dipropyl ether 3175.04
    1,2-dichlorobenzene 561.77
    ethyl lactate 433.01
    propylene carbonate 943.06
    n-methylformamide 670.0
    2-pentanol 2709.76
    n-pentane 1295.35
    1-propoxy-2-propanol 2511.41
    1-methoxy-2-propyl acetate 1578.94
    2-(2-methoxypropoxy) propanol 921.51
    mesitylene 479.02
    ε-caprolactone 1970.1
    p-cymene 450.35
    epichlorohydrin 1740.23
    1,1,1-trichloroethane 1493.28
    2-aminoethanol 709.3
    morpholine-4-carbaldehyde 1286.7
    sulfolane 1312.3
    2,2,4-trimethylpentane 514.9
    2-methyltetrahydrofuran 4049.21
    n-hexyl acetate 1673.47
    isooctane 470.48
    2-(2-butoxyethoxy)ethanol 1440.32
    sec-butyl acetate 1210.88
    tert-butyl acetate 1861.42
    decalin 523.5
    glycerin 523.67
    diglyme 2117.82
    acrylic acid 526.68
    isopropyl myristate 550.72
    n-butyric acid 2304.1
    acetyl acetate 721.61
    di(2-ethylhexyl) phthalate 365.7
    ethyl propionate 1154.89
    nitromethane 883.65
    1,2-diethoxyethane 2513.08
    benzonitrile 704.43
    trioctyl phosphate 359.97
    1-bromopropane 1861.29
    gamma-valerolactone 2111.0
    n-decanol 675.06
    triethyl phosphate 412.13
    4-methyl-2-pentanol 1636.9
    propionitrile 1541.95
    vinylene carbonate 657.77
    1,1,2-trichlorotrifluoroethane 986.17
    DMS 550.76
    cumene 402.28
    2-octanol 892.41
    2-hexanone 1998.09
    octyl acetate 625.16
    limonene 998.31
    1,2-dimethoxyethane 2772.07
    ethyl orthosilicate 535.8
    tributyl phosphate 453.05
    diacetone alcohol 1467.82
    N,N-dimethylaniline 530.17
    acrylonitrile 958.65
    aniline 909.17
    1,3-propanediol 1240.78
    bromobenzene 708.97
    dibromomethane 1377.65
    1,1,2,2-tetrachloroethane 1551.53
    2-methyl-cyclohexyl acetate 965.03
    tetrabutyl urea 506.64
    diisobutyl methanol 1074.91
    2-phenylethanol 906.17
    styrene 604.33
    dioctyl adipate 600.94
    dimethyl sulfate 294.86
    ethyl butyrate 1624.95
    methyl lactate 421.12
    butyl lactate 757.94
    diethyl carbonate 708.09
    propanediol butyl ether 1068.94
    triethyl orthoformate 1075.03
    p-tert-butyltoluene 480.27
    methyl 4-tert-butylbenzoate 590.95
    morpholine 3585.84
    tert-butylamine 3560.56
    n-dodecanol 497.96
    dimethoxymethane 1331.84
    ethylene carbonate 751.48
    cyrene 547.8
    2-ethoxyethyl acetate 1076.66
    2-ethylhexyl acetate 1922.46
    1,2,4-trichlorobenzene 598.25
    4-methylpyridine 1611.7
    dibutyl ether 2254.8
    2,6-dimethyl-4-heptanol 1074.91
    DEF 1776.97
    dimethyl isosorbide 1192.22
    tetrachloroethylene 1179.49
    eugenol 525.54
    triacetin 758.62
    span 80 1029.41
    1,4-butanediol 451.56
    1,1-dichloroethane 1740.86
    2-methyl-1-pentanol 2002.59
    methyl formate 380.17
    2-methyl-1-butanol 2627.94
    n-decane 336.69
    butyronitrile 2194.41
    3,7-dimethyl-1-octanol 1279.65
    1-chlorooctane 842.75
    1-chlorotetradecane 276.44
    n-nonane 392.76
    undecane 211.54
    tert-butylcyclohexane 561.47
    cyclooctane 508.4
    cyclopentanol 1894.65
    tetrahydropyran 4955.89
    tert-amyl methyl ether 2808.49
    2,5,8-trioxanonane 1181.36
    1-hexene 4104.12
    2-isopropoxyethanol 1282.66
    2,2,2-trifluoroethanol 178.9
    methyl butyrate 1576.28

    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