1-(2-Methylpropoxy)heptane

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C11H24O

    SMILES
    CCCCCCCOCC(C)C

  • Odor profile

    Green 90.06%
    Oily 57.79%
    Floral 52.68%
    Herbal 51.68%
    Sweet 50.07%
    Fresh 43.29%
    Fruity 43.05%
    Cognac 42.74%
    Apple 41.93%
    Fatty 40.12%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.57 (neutral)

    Molecular weight
    172.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point est.
    64.96 ˚C

  • Synonyms

    • SCHEMBL3794737

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21677.42
    methanol 12869.66
    isopropanol 22121.82
    water 0.27
    ethyl acetate 24646.99
    n-propanol 19666.21
    acetone 23435.77
    n-butanol 24462.72
    acetonitrile 14266.48
    DMF 7308.03
    toluene 7674.64
    isobutanol 16483.16
    1,4-dioxane 21181.59
    methyl acetate 13067.43
    THF 28934.68
    2-butanone 18276.91
    n-pentanol 16276.49
    sec-butanol 21152.59
    n-hexane 25490.58
    ethylene glycol 910.22
    NMP 5322.75
    cyclohexane 24467.08
    DMSO 10691.36
    n-butyl acetate 41456.79
    n-octanol 8950.09
    chloroform 32460.8
    n-propyl acetate 19839.58
    acetic acid 9413.56
    dichloromethane 29185.03
    cyclohexanone 23751.57
    propylene glycol 2133.76
    isopropyl acetate 17900.84
    DMAc 5364.56
    2-ethoxyethanol 10613.02
    isopentanol 23458.91
    n-heptane 19895.75
    ethyl formate 10213.53
    1,2-dichloroethane 19203.74
    n-hexanol 27158.32
    2-methoxyethanol 13753.21
    isobutyl acetate 11404.04
    tetrachloromethane 9568.7
    n-pentyl acetate 15989.48
    transcutol 29918.59
    n-heptanol 9263.22
    ethylbenzene 5562.73
    MIBK 12613.04
    2-propoxyethanol 18442.69
    tert-butanol 28039.55
    MTBE 31309.56
    2-butoxyethanol 10161.39
    propionic acid 7824.24
    o-xylene 4379.23
    formic acid 999.87
    diethyl ether 36208.81
    m-xylene 5155.16
    p-xylene 7109.52
    chlorobenzene 8557.75
    dimethyl carbonate 1713.69
    n-octane 4979.16
    formamide 1430.75
    cyclopentanone 14767.25
    2-pentanone 21595.28
    anisole 7200.4
    cyclopentyl methyl ether 19893.72
    gamma-butyrolactone 11595.79
    1-methoxy-2-propanol 12143.92
    pyridine 14285.56
    3-pentanone 11213.19
    furfural 8642.47
    n-dodecane 1803.05
    diethylene glycol 5230.36
    diisopropyl ether 14005.18
    tert-amyl alcohol 22881.16
    acetylacetone 12474.5
    n-hexadecane 2052.99
    acetophenone 5393.93
    methyl propionate 9543.37
    isopentyl acetate 29557.83
    trichloroethylene 26409.28
    n-nonanol 7139.56
    cyclohexanol 19813.31
    benzyl alcohol 4973.89
    2-ethylhexanol 22996.51
    isooctanol 8481.12
    dipropyl ether 37958.45
    1,2-dichlorobenzene 7211.46
    ethyl lactate 3550.88
    propylene carbonate 8586.16
    n-methylformamide 4199.55
    2-pentanol 21184.81
    n-pentane 15650.82
    1-propoxy-2-propanol 21268.52
    1-methoxy-2-propyl acetate 13486.48
    2-(2-methoxypropoxy) propanol 4702.25
    mesitylene 3764.02
    ε-caprolactone 18628.74
    p-cymene 5866.09
    epichlorohydrin 17283.7
    1,1,1-trichloroethane 24799.41
    2-aminoethanol 3150.31
    morpholine-4-carbaldehyde 8267.84
    sulfolane 9642.51
    2,2,4-trimethylpentane 4173.82
    2-methyltetrahydrofuran 30594.03
    n-hexyl acetate 16958.48
    isooctane 4130.15
    2-(2-butoxyethoxy)ethanol 7905.78
    sec-butyl acetate 13955.19
    tert-butyl acetate 16168.17
    decalin 5566.83
    glycerin 1871.35
    diglyme 16346.18
    acrylic acid 4057.45
    isopropyl myristate 5190.01
    n-butyric acid 22780.39
    acetyl acetate 9615.75
    di(2-ethylhexyl) phthalate 2338.53
    ethyl propionate 13223.85
    nitromethane 11001.51
    1,2-diethoxyethane 26917.23
    benzonitrile 8867.72
    trioctyl phosphate 2471.81
    1-bromopropane 27166.9
    gamma-valerolactone 16753.07
    n-decanol 4786.36
    triethyl phosphate 4344.45
    4-methyl-2-pentanol 11067.01
    propionitrile 15144.87
    vinylene carbonate 6391.79
    1,1,2-trichlorotrifluoroethane 9834.24
    DMS 4443.64
    cumene 3806.4
    2-octanol 7537.29
    2-hexanone 18903.03
    octyl acetate 5628.51
    limonene 11891.71
    1,2-dimethoxyethane 23114.23
    ethyl orthosilicate 5526.12
    tributyl phosphate 3701.45
    diacetone alcohol 10567.11
    N,N-dimethylaniline 4148.91
    acrylonitrile 10035.99
    aniline 7309.75
    1,3-propanediol 7007.41
    bromobenzene 10030.71
    dibromomethane 27992.96
    1,1,2,2-tetrachloroethane 22186.25
    2-methyl-cyclohexyl acetate 9715.84
    tetrabutyl urea 4022.65
    diisobutyl methanol 11325.65
    2-phenylethanol 6812.36
    styrene 7199.5
    dioctyl adipate 5157.14
    dimethyl sulfate 1820.64
    ethyl butyrate 24788.47
    methyl lactate 2403.35
    butyl lactate 7142.37
    diethyl carbonate 9522.2
    propanediol butyl ether 6059.4
    triethyl orthoformate 13741.8
    p-tert-butyltoluene 5430.85
    methyl 4-tert-butylbenzoate 3869.61
    morpholine 26080.26
    tert-butylamine 25069.08
    n-dodecanol 3582.77
    dimethoxymethane 8178.98
    ethylene carbonate 7537.94
    cyrene 2438.99
    2-ethoxyethyl acetate 11453.49
    2-ethylhexyl acetate 23451.39
    1,2,4-trichlorobenzene 7012.26
    4-methylpyridine 16105.78
    dibutyl ether 28105.59
    2,6-dimethyl-4-heptanol 11325.65
    DEF 14318.43
    dimethyl isosorbide 6598.93
    tetrachloroethylene 15901.85
    eugenol 3290.34
    triacetin 6276.42
    span 80 5577.21
    1,4-butanediol 2829.69
    1,1-dichloroethane 26953.9
    2-methyl-1-pentanol 14790.97
    methyl formate 2947.09
    2-methyl-1-butanol 18810.99
    n-decane 4226.98
    butyronitrile 26920.12
    3,7-dimethyl-1-octanol 10448.95
    1-chlorooctane 9345.14
    1-chlorotetradecane 2731.56
    n-nonane 5382.35
    undecane 2561.99
    tert-butylcyclohexane 5558.2
    cyclooctane 7084.99
    cyclopentanol 13618.99
    tetrahydropyran 41370.53
    tert-amyl methyl ether 18175.25
    2,5,8-trioxanonane 7309.14
    1-hexene 37382.02
    2-isopropoxyethanol 9093.06
    2,2,2-trifluoroethanol 1716.56
    methyl butyrate 19415.12

    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