Heptyl 2-methylpentanoate

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  • Identifiers

    CAS number
    6640-74-0

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCOC(=O)C(C)CCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 84.88%
    Oily 67.52%
    Herbal 66.21%
    Green 62.95%
    Fatty 55.08%
    Winey 50.98%
    Apple 48.81%
    Floral 47.01%
    Waxy 45.88%
    Sweet 39.73%

     

    Flavor
    Fruity 83.19%
    Green 75.62%
    Waxy 56.13%
    Apple 51.24%
    Sweet 47.85%
    Tropical 45.25%
    Floral 44.69%
    Oily 41.28%
    Pear 40.5%
    Herbal 35.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.03 (weak base)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 104.44 ˚C est.

  • Synonyms

    • 6640-74-0
    • heptyl 2-methylpentanoate
    • NSC17924
    • SCHEMBL7217063
    • DTXSID00280683
    • NSC-17924
    • 6640-74-0

  • Applications

    Heptyl 2-methylpentanoate is primarily used as a fragrance ingredient in perfumery, where it also serves as a fixative to help prolong aroma; in cosmetics and personal care it functions as a scented component in products such as lotions, creams, and shower gels; in household products it contributes fragrance to detergents, fabric softeners, and air fresheners; in industrial manufacturing it may act as a solvent or processing aid for fragrance blends and coatings; it may also be evaluated as a plasticizer or additive in polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20632.52
    methanol 21068.73
    isopropanol 19603.22
    water 0.42
    ethyl acetate 25102.08
    n-propanol 17689.23
    acetone 31300.8
    n-butanol 17106.84
    acetonitrile 24486.72
    DMF 17130.8
    toluene 7995.22
    isobutanol 15094.05
    1,4-dioxane 17981.47
    methyl acetate 15017.17
    THF 20110.49
    2-butanone 22692.56
    n-pentanol 10854.74
    sec-butanol 17987.48
    n-hexane 5582.91
    ethylene glycol 723.71
    NMP 10327.23
    cyclohexane 7658.19
    DMSO 13788.93
    n-butyl acetate 22891.0
    n-octanol 4688.68
    chloroform 29284.07
    n-propyl acetate 16494.79
    acetic acid 9276.38
    dichloromethane 29015.77
    cyclohexanone 28854.65
    propylene glycol 1628.07
    isopropyl acetate 15603.35
    DMAc 10300.03
    2-ethoxyethanol 8515.06
    isopentanol 16017.66
    n-heptane 2131.51
    ethyl formate 11782.67
    1,2-dichloroethane 23048.14
    n-hexanol 10678.11
    2-methoxyethanol 12445.08
    isobutyl acetate 8588.92
    tetrachloromethane 6200.62
    n-pentyl acetate 11285.5
    transcutol 21118.09
    n-heptanol 4489.17
    ethylbenzene 4805.43
    MIBK 10470.09
    2-propoxyethanol 10694.57
    tert-butanol 20553.58
    MTBE 27310.2
    2-butoxyethanol 6242.66
    propionic acid 8652.07
    o-xylene 4261.31
    formic acid 1617.1
    diethyl ether 27065.38
    m-xylene 4386.95
    p-xylene 6519.43
    chlorobenzene 11130.55
    dimethyl carbonate 2441.52
    n-octane 857.01
    formamide 3061.3
    cyclopentanone 19328.66
    2-pentanone 21514.48
    anisole 6836.75
    cyclopentyl methyl ether 14074.3
    gamma-butyrolactone 16123.16
    1-methoxy-2-propanol 9435.58
    pyridine 20457.26
    3-pentanone 12274.82
    furfural 11124.61
    n-dodecane 401.07
    diethylene glycol 3729.84
    diisopropyl ether 7318.64
    tert-amyl alcohol 17659.76
    acetylacetone 13600.08
    n-hexadecane 493.72
    acetophenone 6120.46
    methyl propionate 11560.14
    isopentyl acetate 17468.32
    trichloroethylene 32945.88
    n-nonanol 3618.75
    cyclohexanol 16422.21
    benzyl alcohol 4705.57
    2-ethylhexanol 7398.28
    isooctanol 4008.53
    dipropyl ether 10790.93
    1,2-dichlorobenzene 8349.57
    ethyl lactate 2741.86
    propylene carbonate 9185.07
    n-methylformamide 9437.16
    2-pentanol 14083.2
    n-pentane 3735.62
    1-propoxy-2-propanol 9679.81
    1-methoxy-2-propyl acetate 9034.05
    2-(2-methoxypropoxy) propanol 3446.95
    mesitylene 2832.2
    ε-caprolactone 20507.19
    p-cymene 2552.65
    epichlorohydrin 20314.17
    1,1,1-trichloroethane 22304.22
    2-aminoethanol 3008.26
    morpholine-4-carbaldehyde 9930.35
    sulfolane 12345.5
    2,2,4-trimethylpentane 1357.85
    2-methyltetrahydrofuran 22679.99
    n-hexyl acetate 11440.0
    isooctane 1106.77
    2-(2-butoxyethoxy)ethanol 5410.16
    sec-butyl acetate 10643.21
    tert-butyl acetate 12148.01
    decalin 2134.41
    glycerin 1511.51
    diglyme 11411.92
    acrylic acid 4895.85
    isopropyl myristate 2907.26
    n-butyric acid 19609.85
    acetyl acetate 9006.91
    di(2-ethylhexyl) phthalate 1854.79
    ethyl propionate 11779.94
    nitromethane 17647.93
    1,2-diethoxyethane 15528.36
    benzonitrile 10201.54
    trioctyl phosphate 1556.11
    1-bromopropane 18827.04
    gamma-valerolactone 20913.49
    n-decanol 2195.55
    triethyl phosphate 2290.33
    4-methyl-2-pentanol 6284.84
    propionitrile 18075.16
    vinylene carbonate 8051.17
    1,1,2-trichlorotrifluoroethane 9423.1
    DMS 4522.61
    cumene 2848.51
    2-octanol 4084.42
    2-hexanone 14806.02
    octyl acetate 3564.2
    limonene 4948.27
    1,2-dimethoxyethane 18753.65
    ethyl orthosilicate 2541.71
    tributyl phosphate 2266.26
    diacetone alcohol 7847.45
    N,N-dimethylaniline 3912.67
    acrylonitrile 15298.84
    aniline 7947.42
    1,3-propanediol 6116.73
    bromobenzene 12489.23
    dibromomethane 22410.97
    1,1,2,2-tetrachloroethane 25274.74
    2-methyl-cyclohexyl acetate 5111.89
    tetrabutyl urea 2730.35
    diisobutyl methanol 3643.47
    2-phenylethanol 4837.15
    styrene 6707.21
    dioctyl adipate 3298.67
    dimethyl sulfate 2868.07
    ethyl butyrate 11212.65
    methyl lactate 2538.54
    butyl lactate 5004.03
    diethyl carbonate 4913.01
    propanediol butyl ether 4358.97
    triethyl orthoformate 5383.92
    p-tert-butyltoluene 2261.31
    methyl 4-tert-butylbenzoate 3675.85
    morpholine 25192.9
    tert-butylamine 15230.2
    n-dodecanol 1473.52
    dimethoxymethane 9670.75
    ethylene carbonate 8540.81
    cyrene 2355.29
    2-ethoxyethyl acetate 9429.22
    2-ethylhexyl acetate 12424.94
    1,2,4-trichlorobenzene 8013.78
    4-methylpyridine 21259.41
    dibutyl ether 10490.75
    2,6-dimethyl-4-heptanol 3643.47
    DEF 18864.03
    dimethyl isosorbide 5361.26
    tetrachloroethylene 16453.37
    eugenol 3369.81
    triacetin 4696.72
    span 80 3556.18
    1,4-butanediol 2464.89
    1,1-dichloroethane 27896.66
    2-methyl-1-pentanol 9929.55
    methyl formate 5702.01
    2-methyl-1-butanol 14610.37
    n-decane 964.42
    butyronitrile 24636.82
    3,7-dimethyl-1-octanol 4668.0
    1-chlorooctane 4126.75
    1-chlorotetradecane 1086.84
    n-nonane 1103.3
    undecane 571.6
    tert-butylcyclohexane 1845.87
    cyclooctane 1709.25
    cyclopentanol 12591.3
    tetrahydropyran 33196.22
    tert-amyl methyl ether 14757.74
    2,5,8-trioxanonane 5425.98
    1-hexene 15293.45
    2-isopropoxyethanol 6657.75
    2,2,2-trifluoroethanol 2078.02
    methyl butyrate 19054.47

    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