Propyl 2-methylbutanoate

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  • Identifiers

    CAS number
    37064-20-3

    Molecular formula
    C8H16O2

    SMILES
    CCCOC(=O)C(C)CC

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 1134.0

  • Odor profile

    Fruity 97.85%
    Apple 76.03%
    Sweet 70.34%
    Pineapple 68.21%
    Tropical 66.34%
    Green 63.55%
    Banana 57.19%
    Ethereal 50.8%
    Pear 46.77%
    Ripe 46.36%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    155°C

    Flash point est.
    47.08 ˚C

  • Synonyms

    • Propyl 2-methylbutanoate
    • Propyl 2-methylbutyrate
    • 37064-20-3
    • Butanoic acid, 2-methyl-, propyl ester
    • 2-Methyl-1-propylbutyrate
    • n-Propyl 2-methyl butyrate
    • EINECS 253-329-9
    • AI3-33621
    • N-Propyl-2-Methyl Butyrate
    • Propyl-2-methylbutyrate
    • 2-Methylbutyric Acid Propyl Ester
    • MFCD00085211
    • propyl-2-methylbutanoat
    • Propyl 2-methylbutanoic acid
    • SCHEMBL805650
    • DTXSID90865847
    • Propyl 2-methylbutanoate, AldrichCPR
    • AKOS009166026
    • BS-23799
    • CS-0199413
    • NS00056660
    • P1809
    • D92159
    • 253-329-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5681.85
    methanol 6332.4
    isopropanol 5309.35
    water 8.07
    ethyl acetate 2971.78
    n-propanol 4663.08
    acetone 4389.39
    n-butanol 4275.09
    acetonitrile 5511.85
    DMF 3835.46
    toluene 1638.07
    isobutanol 3978.8
    1,4-dioxane 4649.2
    methyl acetate 2900.18
    THF 4240.8
    2-butanone 3610.37
    n-pentanol 3509.66
    sec-butanol 5210.32
    n-hexane 1292.13
    ethylene glycol 638.78
    NMP 3317.62
    cyclohexane 1562.91
    DMSO 2955.98
    n-butyl acetate 3849.91
    n-octanol 2345.26
    chloroform 13394.0
    n-propyl acetate 2671.94
    acetic acid 5115.01
    dichloromethane 10128.76
    cyclohexanone 5066.18
    propylene glycol 1121.87
    isopropyl acetate 1729.56
    DMAc 2792.58
    2-ethoxyethanol 2806.68
    isopentanol 3743.07
    n-heptane 644.47
    ethyl formate 2952.03
    1,2-dichloroethane 4894.96
    n-hexanol 3480.15
    2-methoxyethanol 3588.22
    isobutyl acetate 1585.77
    tetrachloromethane 2416.57
    n-pentyl acetate 2344.44
    transcutol 5420.17
    n-heptanol 1952.5
    ethylbenzene 1387.92
    MIBK 1589.5
    2-propoxyethanol 3119.61
    tert-butanol 5404.01
    MTBE 3878.83
    2-butoxyethanol 2326.45
    propionic acid 3309.68
    o-xylene 1151.6
    formic acid 1229.59
    diethyl ether 3028.86
    m-xylene 1033.48
    p-xylene 2120.79
    chlorobenzene 3366.17
    dimethyl carbonate 640.69
    n-octane 342.5
    formamide 1559.7
    cyclopentanone 4221.68
    2-pentanone 2719.24
    anisole 2182.96
    cyclopentyl methyl ether 2286.0
    gamma-butyrolactone 4583.46
    1-methoxy-2-propanol 2461.75
    pyridine 5456.99
    3-pentanone 1780.29
    furfural 4447.37
    n-dodecane 255.04
    diethylene glycol 1598.63
    diisopropyl ether 977.77
    tert-amyl alcohol 5186.14
    acetylacetone 2011.58
    n-hexadecane 285.41
    acetophenone 2039.54
    methyl propionate 1802.9
    isopentyl acetate 3210.22
    trichloroethylene 9902.44
    n-nonanol 1768.87
    cyclohexanol 3853.31
    benzyl alcohol 2037.85
    2-ethylhexanol 2305.71
    isooctanol 1605.99
    dipropyl ether 1755.56
    1,2-dichlorobenzene 2742.34
    ethyl lactate 907.21
    propylene carbonate 2940.47
    n-methylformamide 2693.05
    2-pentanol 3153.49
    n-pentane 843.17
    1-propoxy-2-propanol 2549.43
    1-methoxy-2-propyl acetate 1608.6
    2-(2-methoxypropoxy) propanol 1395.14
    mesitylene 733.0
    ε-caprolactone 4154.2
    p-cymene 932.0
    epichlorohydrin 4968.66
    1,1,1-trichloroethane 5887.03
    2-aminoethanol 1736.41
    morpholine-4-carbaldehyde 3166.09
    sulfolane 3941.28
    2,2,4-trimethylpentane 479.82
    2-methyltetrahydrofuran 4453.07
    n-hexyl acetate 3283.51
    isooctane 335.1
    2-(2-butoxyethoxy)ethanol 2017.58
    sec-butyl acetate 1596.13
    tert-butyl acetate 1699.07
    decalin 636.58
    glycerin 1084.62
    diglyme 3720.19
    acrylic acid 2662.57
    isopropyl myristate 1001.24
    n-butyric acid 4582.96
    acetyl acetate 1556.97
    di(2-ethylhexyl) phthalate 838.88
    ethyl propionate 1771.66
    nitromethane 5623.45
    1,2-diethoxyethane 2535.63
    benzonitrile 4030.62
    trioctyl phosphate 701.22
    1-bromopropane 3896.01
    gamma-valerolactone 4941.99
    n-decanol 1181.94
    triethyl phosphate 771.63
    4-methyl-2-pentanol 1527.16
    propionitrile 4294.55
    vinylene carbonate 3001.11
    1,1,2-trichlorotrifluoroethane 3441.31
    DMS 1303.65
    cumene 971.18
    2-octanol 1782.5
    2-hexanone 2854.01
    octyl acetate 1347.42
    limonene 1372.13
    1,2-dimethoxyethane 4645.17
    ethyl orthosilicate 776.18
    tributyl phosphate 878.17
    diacetone alcohol 1690.21
    N,N-dimethylaniline 1374.38
    acrylonitrile 4551.68
    aniline 2175.83
    1,3-propanediol 2572.0
    bromobenzene 3661.37
    dibromomethane 7073.31
    1,1,2,2-tetrachloroethane 7891.16
    2-methyl-cyclohexyl acetate 1463.49
    tetrabutyl urea 1030.06
    diisobutyl methanol 1106.83
    2-phenylethanol 1901.9
    styrene 1877.43
    dioctyl adipate 1274.4
    dimethyl sulfate 881.71
    ethyl butyrate 2054.46
    methyl lactate 828.37
    butyl lactate 1538.73
    diethyl carbonate 1407.49
    propanediol butyl ether 2062.0
    triethyl orthoformate 1285.65
    p-tert-butyltoluene 838.08
    methyl 4-tert-butylbenzoate 1454.82
    morpholine 5276.96
    tert-butylamine 4120.51
    n-dodecanol 859.13
    dimethoxymethane 1615.4
    ethylene carbonate 2612.79
    cyrene 1062.06
    2-ethoxyethyl acetate 1882.94
    2-ethylhexyl acetate 2359.95
    1,2,4-trichlorobenzene 2874.93
    4-methylpyridine 5365.58
    dibutyl ether 2331.61
    2,6-dimethyl-4-heptanol 1106.83
    DEF 2889.79
    dimethyl isosorbide 1833.98
    tetrachloroethylene 5501.8
    eugenol 1502.98
    triacetin 1656.05
    span 80 1576.22
    1,4-butanediol 1427.89
    1,1-dichloroethane 6630.51
    2-methyl-1-pentanol 3328.12
    methyl formate 2003.16
    2-methyl-1-butanol 3685.2
    n-decane 479.48
    butyronitrile 5542.43
    3,7-dimethyl-1-octanol 2006.29
    1-chlorooctane 1561.94
    1-chlorotetradecane 539.7
    n-nonane 523.61
    undecane 329.16
    tert-butylcyclohexane 637.58
    cyclooctane 388.67
    cyclopentanol 3637.67
    tetrahydropyran 5232.69
    tert-amyl methyl ether 2455.87
    2,5,8-trioxanonane 2015.03
    1-hexene 3235.55
    2-isopropoxyethanol 1987.67
    2,2,2-trifluoroethanol 1104.76
    methyl butyrate 3089.31

    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
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.1%
Chamomile, german (Germany) 1 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.01%
Chamomile, german (Germany) 2, Living Flower 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 2.22%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Chamomile, german (Egypt) 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.08%