1-Nonen-3-ol

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  • Identifiers

    CAS number
    21964-44-3

    Molecular formula
    C9H18O

    SMILES
    CCCCCCC(C=C)O

    Retention indicies (RI)

    • DB5: 1109.0
    • Carbowax: 1544.0

  • Odor profile

    Green 79.31%
    Earthy 76.63%
    Mushroom 75.73%
    Fruity 65.44%
    Oily 62.72%
    Sweet 62.35%
    Herbal 54.4%
    Fatty 53.43%
    Cheesy 53.36%
    Metallic 52.97%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 195.00 °C. @ 760.00 mm Hg

    Flash point est.
    78.64 ˚C

  • Synonyms

    • 1-Nonen-3-ol
    • 21964-44-3
    • Non-1-en-3-ol
    • Hexylvinylcarbinol
    • 1-Vinylheptanol
    • 3-Hydroxy-1-nonene
    • Hexyl vinyl carbinol
    • delta1-nonen-3-ol
    • nonene-1-ol-3
    • 1-Nonene-3-ol
    • 0GKA6U7Q9G
    • NSC 102782
    • NSC-102782
    • DWUPJMHAPOQKGJ-UHFFFAOYSA-
    • DTXSID30865023
    • EINECS 244-686-1
    • (+/-)-1-NONEN-3-OL
    • 1-NONEN-3-OL, (+/-)-
    • MFCD00021953
    • NSC102782
    • 1-Nonen-3 ol
    • UNII-0GKA6U7Q9G
    • SCHEMBL148996
    • DTXCID80813478
    • CHEBI:179597
    • LMFA05000504
    • AKOS009156593
    • CS-0449661
    • N0451
    • NS00013041
    • D91710
    • Q27236759
    • 244-686-1

  • Applications

    1-Nonen-3-ol (CAS 21964-44-3) is a C9 unsaturated aliphatic alcohol used mainly as a flavor and fragrance ingredient and as a synthetic intermediate; at trace levels it imparts fresh green, cucumber/melon, slightly fatty and citrus-peel nuances to fine fragrance, personal care, household cleaners, and food-flavor formulations, and it is often converted to esters (e.g., acetates, propionates) to obtain more diffusive nonenyl notes; in organic synthesis the coexistence of the double bond and the hydroxyl group enables selective transformations such as epoxidation, hydroboration-oxidation, ozonolysis, and conversion to carbonates and ethers, making it a convenient building block for preparing insect pheromones, agrochemical precursors, and specialty aroma components; it is also employed in sensory science and GC-olfactometry to probe structure-odor relationships and as a reference standard for plant-derived green volatiles.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5628.09
    methanol 4644.26
    isopropanol 5819.27
    water 0.14
    ethyl acetate 4022.01
    n-propanol 5217.04
    acetone 5764.72
    n-butanol 5779.54
    acetonitrile 2071.34
    DMF 2418.15
    toluene 961.15
    isobutanol 4087.3
    1,4-dioxane 3519.74
    methyl acetate 2356.41
    THF 7627.06
    2-butanone 4466.66
    n-pentanol 3308.41
    sec-butanol 4666.6
    n-hexane 2277.05
    ethylene glycol 300.93
    NMP 1491.9
    cyclohexane 1644.35
    DMSO 4136.33
    n-butyl acetate 5181.14
    n-octanol 1125.51
    chloroform 3004.94
    n-propyl acetate 2880.48
    acetic acid 1660.69
    dichloromethane 2711.4
    cyclohexanone 4548.42
    propylene glycol 676.22
    isopropyl acetate 2548.66
    DMAc 1214.66
    2-ethoxyethanol 2100.4
    isopentanol 4760.95
    n-heptane 1186.68
    ethyl formate 1579.13
    1,2-dichloroethane 2480.55
    n-hexanol 4824.3
    2-methoxyethanol 3576.27
    isobutyl acetate 1522.37
    tetrachloromethane 810.21
    n-pentyl acetate 1692.12
    transcutol 6180.78
    n-heptanol 1314.14
    ethylbenzene 593.76
    MIBK 2267.43
    2-propoxyethanol 3839.17
    tert-butanol 6297.86
    MTBE 5518.3
    2-butoxyethanol 1582.31
    propionic acid 1844.4
    o-xylene 532.76
    formic acid 274.06
    diethyl ether 5987.11
    m-xylene 727.2
    p-xylene 716.05
    chlorobenzene 1039.48
    dimethyl carbonate 327.24
    n-octane 301.21
    formamide 421.85
    cyclopentanone 4182.22
    2-pentanone 4748.02
    anisole 849.79
    cyclopentyl methyl ether 3919.46
    gamma-butyrolactone 3153.28
    1-methoxy-2-propanol 3170.22
    pyridine 2455.07
    3-pentanone 2268.31
    furfural 1655.53
    n-dodecane 121.08
    diethylene glycol 1321.78
    diisopropyl ether 1835.31
    tert-amyl alcohol 4285.05
    acetylacetone 2151.73
    n-hexadecane 137.55
    acetophenone 697.43
    methyl propionate 1977.19
    isopentyl acetate 3512.06
    trichloroethylene 3334.68
    n-nonanol 896.04
    cyclohexanol 3517.64
    benzyl alcohol 736.55
    2-ethylhexanol 2789.39
    isooctanol 1051.21
    dipropyl ether 4465.62
    1,2-dichlorobenzene 763.53
    ethyl lactate 534.9
    propylene carbonate 1546.73
    n-methylformamide 1369.04
    2-pentanol 4209.12
    n-pentane 1390.09
    1-propoxy-2-propanol 3562.61
    1-methoxy-2-propyl acetate 2096.91
    2-(2-methoxypropoxy) propanol 899.31
    mesitylene 479.15
    ε-caprolactone 3153.84
    p-cymene 516.52
    epichlorohydrin 3397.05
    1,1,1-trichloroethane 2426.99
    2-aminoethanol 1053.13
    morpholine-4-carbaldehyde 1615.75
    sulfolane 2792.61
    2,2,4-trimethylpentane 426.96
    2-methyltetrahydrofuran 6460.06
    n-hexyl acetate 1924.25
    isooctane 423.57
    2-(2-butoxyethoxy)ethanol 1510.07
    sec-butyl acetate 1721.44
    tert-butyl acetate 2287.71
    decalin 447.02
    glycerin 615.92
    diglyme 2568.58
    acrylic acid 924.04
    isopropyl myristate 548.02
    n-butyric acid 4443.91
    acetyl acetate 1012.15
    di(2-ethylhexyl) phthalate 344.59
    ethyl propionate 1781.23
    nitromethane 2066.15
    1,2-diethoxyethane 3858.73
    benzonitrile 1052.92
    trioctyl phosphate 347.89
    1-bromopropane 2950.29
    gamma-valerolactone 3587.35
    n-decanol 624.53
    triethyl phosphate 491.21
    4-methyl-2-pentanol 1867.96
    propionitrile 2653.47
    vinylene carbonate 1022.75
    1,1,2-trichlorotrifluoroethane 1547.25
    DMS 645.91
    cumene 385.07
    2-octanol 931.38
    2-hexanone 3340.67
    octyl acetate 645.25
    limonene 1179.17
    1,2-dimethoxyethane 3870.91
    ethyl orthosilicate 602.85
    tributyl phosphate 474.86
    diacetone alcohol 2004.26
    N,N-dimethylaniline 511.43
    acrylonitrile 1890.13
    aniline 1169.7
    1,3-propanediol 1959.2
    bromobenzene 1091.86
    dibromomethane 2550.06
    1,1,2,2-tetrachloroethane 2586.06
    2-methyl-cyclohexyl acetate 1108.73
    tetrabutyl urea 517.62
    diisobutyl methanol 1329.08
    2-phenylethanol 1069.4
    styrene 736.74
    dioctyl adipate 625.31
    dimethyl sulfate 440.05
    ethyl butyrate 2746.06
    methyl lactate 549.07
    butyl lactate 961.37
    diethyl carbonate 1008.7
    propanediol butyl ether 1164.88
    triethyl orthoformate 1386.7
    p-tert-butyltoluene 508.86
    methyl 4-tert-butylbenzoate 562.56
    morpholine 4949.08
    tert-butylamine 4835.86
    n-dodecanol 453.53
    dimethoxymethane 2188.7
    ethylene carbonate 1103.9
    cyrene 555.9
    2-ethoxyethyl acetate 1485.44
    2-ethylhexyl acetate 2668.87
    1,2,4-trichlorobenzene 772.72
    4-methylpyridine 2560.02
    dibutyl ether 2820.6
    2,6-dimethyl-4-heptanol 1329.08
    DEF 2916.29
    dimethyl isosorbide 1270.88
    tetrachloroethylene 2022.93
    eugenol 550.37
    triacetin 819.92
    span 80 997.91
    1,4-butanediol 608.12
    1,1-dichloroethane 3289.1
    2-methyl-1-pentanol 2506.66
    methyl formate 798.81
    2-methyl-1-butanol 3916.42
    n-decane 271.95
    butyronitrile 4068.83
    3,7-dimethyl-1-octanol 1260.65
    1-chlorooctane 837.65
    1-chlorotetradecane 246.98
    n-nonane 329.8
    undecane 169.3
    tert-butylcyclohexane 488.18
    cyclooctane 481.42
    cyclopentanol 3233.97
    tetrahydropyran 7495.68
    tert-amyl methyl ether 2965.31
    2,5,8-trioxanonane 1291.66
    1-hexene 4792.61
    2-isopropoxyethanol 1550.84
    2,2,2-trifluoroethanol 274.36
    methyl butyrate 2795.91

    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
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 1.0%
Chervil (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 0.1%
Ziziphora tenuior (Turkey) Ziziphora tenuior L.(Z.acutifolia Montbret & Aucher ex Bentham), Lamiaceae 0.19%
Thymus sibthorpii (Turkey) Thymus sibthorpii Bentham, fam. Lamiaceae (Labiatae) 0.07%
Artemisia abaensis (China) Artemisia abaensis Y.R. Ling et S.Y. Zhao, fam. Asteraceae (Compositae) 0.55%
Origanum husnuca-baserii (Turkey) Origanum husnucan-baserii H. Duman, Z. Aytac et A. Duran, fam. Lamiaceae 0.01%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.3%
Helichrysum litoreum (Italy) 1a flower Helichrysum litoreum Guss., fam. Asteraceae (Compositae) 1.0%
Helichrysum litoreum (Italy) 1b stem Helichrysum litoreum Guss., fam. Asteraceae (Compositae) 0.05%
Pepper, black (India) 6a distilled 8006-82-4 Piper nigrum L., fam. Piperaceae 0.13%
Pepper, black (India) 6b free volatiles 8006-82-4 Piper nigrum L., fam. Piperaceae 0.6%