3-Nonanol

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  • Identifiers

    CAS number
    624-51-1

    Molecular formula
    C9H20O

    SMILES
    CCCCCCC(CC)O

    Retention indicies (RI)

    • Carbowax: 1470.0

  • Odor profile

    Oily 74.27%
    Green 61.98%
    Herbal 61.96%
    Fatty 61.22%
    Earthy 59.8%
    Floral 59.06%
    Mushroom 54.68%
    Waxy 53.39%
    Musty 51.67%
    Spicy 50.33%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    144.25 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.
    79.82 ˚C

    Solubility expt.

    • 0.315 mg/mL at 25 °C

  • Synonyms

    • 3-NONANOL
    • 624-51-1
    • nonan-3-ol
    • Hexylethylcarbinol
    • Ethylhexylcarbinol
    • Ethyl hexyl carbinol
    • (s)-nonan-3-ol
    • NONANOL-3
    • EINECS 210-850-6
    • UNII-047779Z489
    • DL-NONAN-3-OL
    • (R)-1-Ethyl-1-heptanol
    • AI3-37211
    • (+/-)-3-NONANOL
    • DTXSID50862317
    • 3-NONANOL, (+/-)-
    • 047779Z489
    • 3-Nonyl Alcohol
    • nonan-7-ol
    • MFCD00014411
    • SCHEMBL295320
    • CHEMBL487999
    • DTXCID90811102
    • CHEBI:165508
    • LMFA05000507
    • AKOS009156481
    • BS-23132
    • FN167715
    • DB-054170
    • CS-0199187
    • N0335
    • NS00013036
    • D91682
    • EN300-7152518
    • Q22668733
    • 210-850-6

  • Applications

    3-Nonanol (CAS 624-51-1) is a straight-chain secondary alcohol used as a solvent/co-solvent in organic synthesis and in coatings, inks, and adhesives due to its high boiling point and good resin compatibility; it serves as an intermediate for selective oxidation to 3-nonanone and for esterification to nonan-3-yl esters employed in fragrance compositions and flavor applications at trace levels (imparting green, oily, slightly fruity notes), and as a precursor to surfactants via alkoxylation or sulfation; in research it is a model substrate for oxidation, hydride transfer, esterification, and for assessing asymmetric selectivity (exists as R/S enantiomers); it is also used as an analytical reference/internal standard in GC/MS and partitioning studies, and as a solubilizer/coupling agent to improve solubility of hydrophobic additives and to tune viscosity in lubricants, cleaners, and surface-treatment formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21689.9
    methanol 15992.71
    isopropanol 24755.07
    water 0.26
    ethyl acetate 14139.56
    n-propanol 20884.37
    acetone 21202.98
    n-butanol 21848.73
    acetonitrile 10068.33
    DMF 7962.03
    toluene 3099.09
    isobutanol 16124.83
    1,4-dioxane 12972.66
    methyl acetate 7726.04
    THF 23384.45
    2-butanone 14326.12
    n-pentanol 11794.37
    sec-butanol 18340.19
    n-hexane 11329.89
    ethylene glycol 926.47
    NMP 3974.62
    cyclohexane 7390.77
    DMSO 10408.27
    n-butyl acetate 16711.27
    n-octanol 4017.71
    chloroform 13280.16
    n-propyl acetate 10066.44
    acetic acid 5520.25
    dichloromethane 11018.46
    cyclohexanone 14840.79
    propylene glycol 2310.12
    isopropyl acetate 8788.36
    DMAc 3426.56
    2-ethoxyethanol 7176.02
    isopentanol 16963.68
    n-heptane 5711.74
    ethyl formate 5907.43
    1,2-dichloroethane 8970.64
    n-hexanol 15586.92
    2-methoxyethanol 11786.38
    isobutyl acetate 4981.38
    tetrachloromethane 3686.03
    n-pentyl acetate 6021.28
    transcutol 15455.6
    n-heptanol 4716.27
    ethylbenzene 1959.95
    MIBK 6920.16
    2-propoxyethanol 12236.25
    tert-butanol 26260.88
    MTBE 21529.87
    2-butoxyethanol 5586.64
    propionic acid 6319.06
    o-xylene 1479.65
    formic acid 817.71
    diethyl ether 22967.92
    m-xylene 1900.3
    p-xylene 2386.88
    chlorobenzene 3395.15
    dimethyl carbonate 908.98
    n-octane 1346.05
    formamide 1328.6
    cyclopentanone 12238.98
    2-pentanone 15038.93
    anisole 2837.58
    cyclopentyl methyl ether 11584.64
    gamma-butyrolactone 8697.36
    1-methoxy-2-propanol 10252.33
    pyridine 8953.13
    3-pentanone 6917.64
    furfural 4762.45
    n-dodecane 489.91
    diethylene glycol 3851.51
    diisopropyl ether 6611.05
    tert-amyl alcohol 16319.14
    acetylacetone 6503.66
    n-hexadecane 570.26
    acetophenone 2044.27
    methyl propionate 6067.4
    isopentyl acetate 11264.63
    trichloroethylene 10871.13
    n-nonanol 3219.82
    cyclohexanol 12756.18
    benzyl alcohol 2284.43
    2-ethylhexanol 9368.32
    isooctanol 3787.69
    dipropyl ether 17480.89
    1,2-dichlorobenzene 2351.62
    ethyl lactate 1727.81
    propylene carbonate 4437.61
    n-methylformamide 4758.49
    2-pentanol 15191.84
    n-pentane 6340.06
    1-propoxy-2-propanol 11450.96
    1-methoxy-2-propyl acetate 5818.71
    2-(2-methoxypropoxy) propanol 2121.05
    mesitylene 1275.06
    ε-caprolactone 10064.3
    p-cymene 1599.62
    epichlorohydrin 10232.96
    1,1,1-trichloroethane 9072.29
    2-aminoethanol 3679.31
    morpholine-4-carbaldehyde 4820.78
    sulfolane 6867.57
    2,2,4-trimethylpentane 1583.75
    2-methyltetrahydrofuran 20495.46
    n-hexyl acetate 6271.62
    isooctane 1527.77
    2-(2-butoxyethoxy)ethanol 4140.47
    sec-butyl acetate 5808.3
    tert-butyl acetate 7486.94
    decalin 1711.78
    glycerin 1845.51
    diglyme 7622.42
    acrylic acid 2922.46
    isopropyl myristate 1690.51
    n-butyric acid 15643.65
    acetyl acetate 3394.08
    di(2-ethylhexyl) phthalate 920.75
    ethyl propionate 6416.94
    nitromethane 7051.54
    1,2-diethoxyethane 12703.48
    benzonitrile 3670.43
    trioctyl phosphate 977.46
    1-bromopropane 11975.06
    gamma-valerolactone 11250.94
    n-decanol 2101.72
    triethyl phosphate 1413.36
    4-methyl-2-pentanol 6261.48
    propionitrile 11338.21
    vinylene carbonate 3068.51
    1,1,2-trichlorotrifluoroethane 4820.9
    DMS 1683.48
    cumene 1195.13
    2-octanol 3423.32
    2-hexanone 11120.41
    octyl acetate 1956.61
    limonene 3776.93
    1,2-dimethoxyethane 14698.66
    ethyl orthosilicate 1823.63
    tributyl phosphate 1337.76
    diacetone alcohol 5827.4
    N,N-dimethylaniline 1562.46
    acrylonitrile 7629.8
    aniline 4021.87
    1,3-propanediol 7003.79
    bromobenzene 3583.69
    dibromomethane 10501.15
    1,1,2,2-tetrachloroethane 9105.65
    2-methyl-cyclohexyl acetate 3221.11
    tetrabutyl urea 1486.8
    diisobutyl methanol 4232.17
    2-phenylethanol 3174.48
    styrene 2626.9
    dioctyl adipate 1760.09
    dimethyl sulfate 1054.52
    ethyl butyrate 9274.18
    methyl lactate 1530.41
    butyl lactate 3125.43
    diethyl carbonate 3332.03
    propanediol butyl ether 3593.76
    triethyl orthoformate 4628.85
    p-tert-butyltoluene 1543.94
    methyl 4-tert-butylbenzoate 1457.61
    morpholine 18543.94
    tert-butylamine 22043.3
    n-dodecanol 1500.64
    dimethoxymethane 6465.62
    ethylene carbonate 3777.88
    cyrene 1265.09
    2-ethoxyethyl acetate 4510.4
    2-ethylhexyl acetate 8451.74
    1,2,4-trichlorobenzene 2342.08
    4-methylpyridine 8891.22
    dibutyl ether 10636.5
    2,6-dimethyl-4-heptanol 4232.17
    DEF 9649.44
    dimethyl isosorbide 2874.75
    tetrachloroethylene 6958.65
    eugenol 1407.28
    triacetin 2174.37
    span 80 2680.68
    1,4-butanediol 2156.33
    1,1-dichloroethane 13010.46
    2-methyl-1-pentanol 8492.85
    methyl formate 2615.99
    2-methyl-1-butanol 13859.74
    n-decane 1163.29
    butyronitrile 17359.75
    3,7-dimethyl-1-octanol 4218.5
    1-chlorooctane 3131.47
    1-chlorotetradecane 875.03
    n-nonane 1447.55
    undecane 711.75
    tert-butylcyclohexane 1826.12
    cyclooctane 1849.5
    cyclopentanol 11276.01
    tetrahydropyran 27170.39
    tert-amyl methyl ether 10212.07
    2,5,8-trioxanonane 3217.33
    1-hexene 19527.51
    2-isopropoxyethanol 5286.66
    2,2,2-trifluoroethanol 890.41
    methyl butyrate 9895.93

    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%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.45%
Cornmint (Mentha arvensis) (India) 3 Shivalik 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.04%
Calamintha incana (Turkey) Calamintha incana (Sm.) Boiss., fam. Lamiaceae (Labiatae) 0.65%
Calamintha nepeta (Italy) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.2%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%
Thymus migricus (Turkey) Thymus migricus Klokov et Des.-Shost., fam. Lamiaceae (Labiatae) 0.03%
Thyme (Italy) 9 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.2%