1-Nonyl 2-methylbutanoate

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  • Identifiers

    Molecular formula
    C14H28O2

    SMILES
    CCCCCCCCCOC(=O)C(C)CC

  • Odor profile

    Fruity 83.54%
    Oily 64.43%
    Fatty 59.75%
    Herbal 59.73%
    Green 58.25%
    Waxy 56.52%
    Winey 47.72%
    Floral 44.54%
    Apple 43.08%
    Cognac 39.44%

    Scent© AI

  • Properties

    XLogP3-AA
    5.5

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    272°C

    Flash point est.
    112.02 ˚C

  • Synonyms

    • 1-nonyl 2-methylbutanoate
    • nonyl 2-methylbutanoate
    • SCHEMBL7217398
    • GPHARSQCLGLBRV-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19035.99
    methanol 15817.82
    isopropanol 19980.74
    water 0.24
    ethyl acetate 28027.18
    n-propanol 17635.77
    acetone 34261.47
    n-butanol 16469.28
    acetonitrile 25264.22
    DMF 15506.64
    toluene 7768.32
    isobutanol 14840.29
    1,4-dioxane 20249.04
    methyl acetate 17240.26
    THF 21701.89
    2-butanone 26987.72
    n-pentanol 10543.13
    sec-butanol 18359.3
    n-hexane 6200.6
    ethylene glycol 433.12
    NMP 10377.07
    cyclohexane 9166.4
    DMSO 13308.7
    n-butyl acetate 22697.91
    n-octanol 4920.47
    chloroform 31604.52
    n-propyl acetate 20124.33
    acetic acid 8346.85
    dichloromethane 32190.14
    cyclohexanone 33638.98
    propylene glycol 1239.32
    isopropyl acetate 17727.96
    DMAc 10421.54
    2-ethoxyethanol 9139.4
    isopentanol 15573.17
    n-heptane 2333.42
    ethyl formate 12092.89
    1,2-dichloroethane 25044.97
    n-hexanol 9292.32
    2-methoxyethanol 12248.08
    isobutyl acetate 10232.55
    tetrachloromethane 6687.58
    n-pentyl acetate 13055.42
    transcutol 22331.0
    n-heptanol 4477.32
    ethylbenzene 4870.07
    MIBK 11763.66
    2-propoxyethanol 9712.66
    tert-butanol 21583.78
    MTBE 31190.19
    2-butoxyethanol 6217.9
    propionic acid 8697.04
    o-xylene 4283.17
    formic acid 1054.04
    diethyl ether 32349.42
    m-xylene 4306.56
    p-xylene 6796.45
    chlorobenzene 11429.12
    dimethyl carbonate 2358.6
    n-octane 969.92
    formamide 2405.46
    cyclopentanone 21990.51
    2-pentanone 24650.19
    anisole 7239.58
    cyclopentyl methyl ether 16353.82
    gamma-butyrolactone 18480.64
    1-methoxy-2-propanol 9669.6
    pyridine 21588.67
    3-pentanone 14282.48
    furfural 11077.76
    n-dodecane 427.6
    diethylene glycol 2922.1
    diisopropyl ether 8415.43
    tert-amyl alcohol 18256.83
    acetylacetone 14818.93
    n-hexadecane 527.86
    acetophenone 6441.16
    methyl propionate 12686.02
    isopentyl acetate 17367.68
    trichloroethylene 34428.56
    n-nonanol 3859.5
    cyclohexanol 16680.14
    benzyl alcohol 4570.48
    2-ethylhexanol 6982.75
    isooctanol 4153.7
    dipropyl ether 12041.71
    1,2-dichlorobenzene 8691.84
    ethyl lactate 3036.61
    propylene carbonate 9876.47
    n-methylformamide 8448.63
    2-pentanol 13979.9
    n-pentane 3903.64
    1-propoxy-2-propanol 9618.53
    1-methoxy-2-propyl acetate 9225.84
    2-(2-methoxypropoxy) propanol 3469.64
    mesitylene 2860.87
    ε-caprolactone 23658.34
    p-cymene 2561.85
    epichlorohydrin 21866.33
    1,1,1-trichloroethane 25385.62
    2-aminoethanol 2270.51
    morpholine-4-carbaldehyde 10428.91
    sulfolane 13458.75
    2,2,4-trimethylpentane 1418.61
    2-methyltetrahydrofuran 27542.43
    n-hexyl acetate 13008.47
    isooctane 1135.11
    2-(2-butoxyethoxy)ethanol 5397.25
    sec-butyl acetate 13149.51
    tert-butyl acetate 14087.55
    decalin 2382.63
    glycerin 1148.4
    diglyme 12516.91
    acrylic acid 4325.6
    isopropyl myristate 3174.92
    n-butyric acid 20112.79
    acetyl acetate 9836.53
    di(2-ethylhexyl) phthalate 1880.65
    ethyl propionate 14305.33
    nitromethane 17948.55
    1,2-diethoxyethane 17411.38
    benzonitrile 10054.92
    trioctyl phosphate 1615.74
    1-bromopropane 21834.45
    gamma-valerolactone 23563.2
    n-decanol 2284.3
    triethyl phosphate 2556.41
    4-methyl-2-pentanol 6252.34
    propionitrile 19200.99
    vinylene carbonate 8262.68
    1,1,2-trichlorotrifluoroethane 9166.34
    DMS 4920.37
    cumene 2893.98
    2-octanol 4369.52
    2-hexanone 17351.25
    octyl acetate 3907.93
    limonene 4947.18
    1,2-dimethoxyethane 21276.53
    ethyl orthosilicate 2756.71
    tributyl phosphate 2350.51
    diacetone alcohol 8660.96
    N,N-dimethylaniline 4101.35
    acrylonitrile 14965.06
    aniline 7818.52
    1,3-propanediol 5341.96
    bromobenzene 12870.4
    dibromomethane 25150.62
    1,1,2,2-tetrachloroethane 27465.01
    2-methyl-cyclohexyl acetate 5544.46
    tetrabutyl urea 2826.47
    diisobutyl methanol 3642.68
    2-phenylethanol 4318.11
    styrene 6881.78
    dioctyl adipate 3671.34
    dimethyl sulfate 2844.07
    ethyl butyrate 13235.06
    methyl lactate 2520.1
    butyl lactate 5337.2
    diethyl carbonate 5570.23
    propanediol butyl ether 4192.69
    triethyl orthoformate 6333.14
    p-tert-butyltoluene 2248.98
    methyl 4-tert-butylbenzoate 3911.77
    morpholine 28587.4
    tert-butylamine 15536.76
    n-dodecanol 1513.18
    dimethoxymethane 9750.4
    ethylene carbonate 9271.88
    cyrene 2399.22
    2-ethoxyethyl acetate 10420.17
    2-ethylhexyl acetate 12696.51
    1,2,4-trichlorobenzene 8529.12
    4-methylpyridine 22249.14
    dibutyl ether 12636.63
    2,6-dimethyl-4-heptanol 3642.68
    DEF 20930.49
    dimethyl isosorbide 5513.41
    tetrachloroethylene 17467.36
    eugenol 3381.63
    triacetin 5442.91
    span 80 3649.74
    1,4-butanediol 2019.11
    1,1-dichloroethane 30902.02
    2-methyl-1-pentanol 9768.81
    methyl formate 4907.25
    2-methyl-1-butanol 14172.62
    n-decane 1088.89
    butyronitrile 25250.85
    3,7-dimethyl-1-octanol 4704.47
    1-chlorooctane 4615.24
    1-chlorotetradecane 1173.49
    n-nonane 1251.7
    undecane 631.22
    tert-butylcyclohexane 2006.3
    cyclooctane 1975.99
    cyclopentanol 12812.76
    tetrahydropyran 39128.08
    tert-amyl methyl ether 16215.48
    2,5,8-trioxanonane 5540.78
    1-hexene 17339.92
    2-isopropoxyethanol 7222.9
    2,2,2-trifluoroethanol 1847.13
    methyl butyrate 22481.67

    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
Shanqiu Anaphalis margaritacea (L.) Benth.et Hook.(Shanqiu),fam.Asteraceae (Comp.) 0.29%