1-Nonen-3-ol, 3-acetate

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  • Identifiers

    CAS number
    31795-37-6

    Molecular formula
    C11H20O2

    SMILES
    CCCCCCC(C=C)OC(=O)C

  • Odor profile

    Green 68.99%
    Fruity 60.38%
    Mushroom 53.65%
    Earthy 51.16%
    Floral 49.42%
    Waxy 45.96%
    Fresh 45.48%
    Herbal 44.68%
    Fatty 44.6%
    Oily 43.27%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.19 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point est.
    86.21 ˚C

  • Synonyms

    • 1-Hexylallyl acetate
    • 1-Nonen-3-ol, acetate
    • 3-Acetoxy-1-nonene
    • 1-Nonen-3-ol, 3-acetate
    • 31795-37-6
    • non-1-en-3-yl acetate
    • Hexyl vinyl carbinyl acetate
    • (x)-1-Nonen-3-yl acetate
    • EINECS 250-808-4
    • AI3-36553
    • DTXSID60885517
    • 1-Nonen-3-yl acetate
    • SCHEMBL8152281
    • DTXCID30876614
    • DTXSID10276592
    • CHEBI:172068
    • AKOS006280937
    • NS00050797
    • 129742-92-3

  • Applications

    1-Nonen-3-ol, 3-acetate (CAS 31795-37-6) is an alkenyl acetate with a fresh green, slightly cucumber–fruity odour, used as a fragrance ingredient to add green, crisp, fruity nuances to fine fragrances, personal-care and household products, and at very low levels as a flavor note; it also serves as a versatile intermediate: it can be hydrolyzed to 1-nonen-3-ol, undergo Pd-catalyzed allylic substitution, metathesis and related transformations to build longer unsaturated backbones, act as a building block for insect pheromones and aroma chemicals, function as a GC–MS reference/analyte within aliphatic acetates, and be employed in R&D as a model substrate to probe regio- and stereoselective allylic chemistry; in industrial use it may be encapsulated for stability and controlled scent release, with storage away from moisture and oxygen to limit hydrolysis and oxidation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2333.14
    methanol 2502.98
    isopropanol 2129.83
    water 0.1
    ethyl acetate 1931.74
    n-propanol 1970.88
    acetone 3258.24
    n-butanol 1876.02
    acetonitrile 1413.93
    DMF 3012.65
    toluene 964.66
    isobutanol 1687.3
    1,4-dioxane 2254.44
    methyl acetate 1470.05
    THF 3937.63
    2-butanone 2413.61
    n-pentanol 1461.15
    sec-butanol 2065.28
    n-hexane 824.63
    ethylene glycol 224.04
    NMP 2386.9
    cyclohexane 609.72
    DMSO 3250.27
    n-butyl acetate 1824.51
    n-octanol 574.49
    chloroform 3282.24
    n-propyl acetate 1201.22
    acetic acid 1192.72
    dichloromethane 2887.05
    cyclohexanone 3320.88
    propylene glycol 476.93
    isopropyl acetate 1329.26
    DMAc 2159.31
    2-ethoxyethanol 1196.67
    isopentanol 1807.44
    n-heptane 194.17
    ethyl formate 835.1
    1,2-dichloroethane 2204.7
    n-hexanol 1688.54
    2-methoxyethanol 1887.29
    isobutyl acetate 811.73
    tetrachloromethane 515.73
    n-pentyl acetate 876.4
    transcutol 4135.73
    n-heptanol 486.43
    ethylbenzene 572.5
    MIBK 1224.14
    2-propoxyethanol 1798.84
    tert-butanol 2632.09
    MTBE 2877.73
    2-butoxyethanol 761.31
    propionic acid 1152.89
    o-xylene 606.1
    formic acid 244.41
    diethyl ether 2715.08
    m-xylene 697.33
    p-xylene 686.22
    chlorobenzene 1179.13
    dimethyl carbonate 376.3
    n-octane 74.74
    formamide 339.69
    cyclopentanone 2884.09
    2-pentanone 2220.92
    anisole 920.82
    cyclopentyl methyl ether 2354.13
    gamma-butyrolactone 2435.91
    1-methoxy-2-propanol 1736.74
    pyridine 1906.45
    3-pentanone 1441.22
    furfural 1610.36
    n-dodecane 51.64
    diethylene glycol 877.02
    diisopropyl ether 729.25
    tert-amyl alcohol 2343.07
    acetylacetone 1629.71
    n-hexadecane 61.5
    acetophenone 789.69
    methyl propionate 1325.24
    isopentyl acetate 1575.07
    trichloroethylene 3163.77
    n-nonanol 473.35
    cyclohexanol 1988.79
    benzyl alcohol 741.55
    2-ethylhexanol 947.41
    isooctanol 426.93
    dipropyl ether 1062.39
    1,2-dichlorobenzene 949.12
    ethyl lactate 393.6
    propylene carbonate 1243.85
    n-methylformamide 1000.07
    2-pentanol 1544.16
    n-pentane 414.8
    1-propoxy-2-propanol 1475.52
    1-methoxy-2-propyl acetate 1274.17
    2-(2-methoxypropoxy) propanol 849.07
    mesitylene 456.01
    ε-caprolactone 2174.1
    p-cymene 305.28
    epichlorohydrin 2680.14
    1,1,1-trichloroethane 2183.9
    2-aminoethanol 620.51
    morpholine-4-carbaldehyde 1834.21
    sulfolane 2971.66
    2,2,4-trimethylpentane 184.82
    2-methyltetrahydrofuran 3435.64
    n-hexyl acetate 1303.04
    isooctane 143.31
    2-(2-butoxyethoxy)ethanol 1156.96
    sec-butyl acetate 877.66
    tert-butyl acetate 1455.32
    decalin 278.35
    glycerin 495.64
    diglyme 1832.61
    acrylic acid 753.51
    isopropyl myristate 431.06
    n-butyric acid 1920.88
    acetyl acetate 852.18
    di(2-ethylhexyl) phthalate 386.54
    ethyl propionate 995.28
    nitromethane 1688.53
    1,2-diethoxyethane 1651.1
    benzonitrile 1001.39
    trioctyl phosphate 284.41
    1-bromopropane 1957.85
    gamma-valerolactone 2618.65
    n-decanol 339.83
    triethyl phosphate 357.0
    4-methyl-2-pentanol 760.57
    propionitrile 1355.82
    vinylene carbonate 992.51
    1,1,2-trichlorotrifluoroethane 1527.32
    DMS 767.89
    cumene 373.02
    2-octanol 410.47
    2-hexanone 1577.29
    octyl acetate 539.5
    limonene 591.33
    1,2-dimethoxyethane 2291.03
    ethyl orthosilicate 379.8
    tributyl phosphate 401.74
    diacetone alcohol 1302.84
    N,N-dimethylaniline 643.71
    acrylonitrile 1274.05
    aniline 1068.51
    1,3-propanediol 924.33
    bromobenzene 1368.56
    dibromomethane 2338.28
    1,1,2,2-tetrachloroethane 3072.31
    2-methyl-cyclohexyl acetate 769.35
    tetrabutyl urea 520.71
    diisobutyl methanol 444.15
    2-phenylethanol 795.89
    styrene 735.33
    dioctyl adipate 613.95
    dimethyl sulfate 671.33
    ethyl butyrate 926.0
    methyl lactate 497.1
    butyl lactate 634.12
    diethyl carbonate 525.61
    propanediol butyl ether 814.72
    triethyl orthoformate 592.13
    p-tert-butyltoluene 310.19
    methyl 4-tert-butylbenzoate 644.16
    morpholine 3106.87
    tert-butylamine 1721.19
    n-dodecanol 252.08
    dimethoxymethane 1460.44
    ethylene carbonate 908.98
    cyrene 653.03
    2-ethoxyethyl acetate 1021.64
    2-ethylhexyl acetate 1170.95
    1,2,4-trichlorobenzene 1077.47
    4-methylpyridine 2276.52
    dibutyl ether 1061.99
    2,6-dimethyl-4-heptanol 444.15
    DEF 2062.96
    dimethyl isosorbide 1293.26
    tetrachloroethylene 1801.38
    eugenol 624.24
    triacetin 883.56
    span 80 819.16
    1,4-butanediol 428.82
    1,1-dichloroethane 2537.96
    2-methyl-1-pentanol 1392.2
    methyl formate 667.7
    2-methyl-1-butanol 1722.13
    n-decane 101.0
    butyronitrile 1741.54
    3,7-dimethyl-1-octanol 657.3
    1-chlorooctane 480.09
    1-chlorotetradecane 163.68
    n-nonane 109.76
    undecane 68.52
    tert-butylcyclohexane 269.0
    cyclooctane 173.22
    cyclopentanol 1829.04
    tetrahydropyran 3701.25
    tert-amyl methyl ether 1877.78
    2,5,8-trioxanonane 1209.29
    1-hexene 2032.4
    2-isopropoxyethanol 1010.59
    2,2,2-trifluoroethanol 271.46
    methyl butyrate 1410.93

    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
Chervil (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 0.1%