Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester

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  • Identifiers

    CAS number
    138-23-8

    Molecular formula
    C14H26O2

    SMILES
    CC(C)C(=O)OCCC(C)CCCC(=C)C

  • Odor profile

    Floral 90.34%
    Fruity 83.19%
    Rose 80.58%
    Sweet 74.2%
    Waxy 52.15%
    Citrus 51.42%
    Geranium 49.9%
    Tropical 47.66%
    Green 44.25%
    Fresh 43.19%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point est.
    104.5 ˚C

    Solubility expt.

    • soluble in alcohol; insoluble in water

  • Synonyms

    • Rhodinyl isobutyrate
    • 138-23-8
    • 3,7-dimethyloct-7-enyl 2-methylpropanoate
    • 3,7-Dimethyl-7-octenyl 2-methylpropanoate
    • PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-7-OCTENYL ESTER
    • 3,7-Dimethyloct-7-enyl isobutyrate
    • Isobutyric acid, 3,7-dimethyl-7-octenyl ester
    • 3,7-Dimethyl-7-octen-1-yl isobutyrate
    • Rhodinyl isobutyrate, (+/-)-
    • 3,7-Dimethyl-7-octen-1-yl 2-methylpropionate
    • Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octen-1-yl ester
    • MPU705W90M
    • 3,7-dimethyloct-7-en-1-yl 2-methylpropanoate
    • Rhodinyl 2-methylpropanoate
    • UNII-MPU705W90M
    • 2,6-Dimethyl-1-octen-8-yl isobutyrate
    • (+/-)-rhodinyl isobutyrate
    • SCHEMBL3504497
    • FEMA 2983
    • DTXSID40861798
    • CHEBI:171861
    • KHCGLDOOFYZQKU-UHFFFAOYSA-N
    • LMFA07011013
    • NS00013176
    • Q27284164

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13976.64
    methanol 13629.83
    isopropanol 11285.24
    water 0.58
    ethyl acetate 10560.05
    n-propanol 9282.54
    acetone 8217.12
    n-butanol 9177.69
    acetonitrile 6428.54
    DMF 3521.06
    toluene 2208.52
    isobutanol 6829.58
    1,4-dioxane 9862.33
    methyl acetate 5121.36
    THF 10500.31
    2-butanone 6703.82
    n-pentanol 6136.25
    sec-butanol 9566.19
    n-hexane 1598.58
    ethylene glycol 347.9
    NMP 2187.58
    cyclohexane 1672.57
    DMSO 2976.64
    n-butyl acetate 7102.37
    n-octanol 1855.77
    chloroform 9203.0
    n-propyl acetate 5669.5
    acetic acid 5101.93
    dichloromethane 7903.95
    cyclohexanone 7057.31
    propylene glycol 1035.5
    isopropyl acetate 7000.93
    DMAc 3056.41
    2-ethoxyethanol 5520.56
    isopentanol 8493.96
    n-heptane 471.39
    ethyl formate 4259.24
    1,2-dichloroethane 5220.2
    n-hexanol 5964.01
    2-methoxyethanol 7311.7
    isobutyl acetate 3173.61
    tetrachloromethane 1616.39
    n-pentyl acetate 3216.18
    transcutol 13253.75
    n-heptanol 1973.22
    ethylbenzene 1477.03
    MIBK 3891.34
    2-propoxyethanol 6236.77
    tert-butanol 11781.41
    MTBE 13510.87
    2-butoxyethanol 2967.09
    propionic acid 3063.23
    o-xylene 1315.47
    formic acid 1007.43
    diethyl ether 11811.73
    m-xylene 1521.24
    p-xylene 1970.06
    chlorobenzene 2480.15
    dimethyl carbonate 680.15
    n-octane 180.32
    formamide 1466.16
    cyclopentanone 4317.1
    2-pentanone 6915.94
    anisole 2455.43
    cyclopentyl methyl ether 5512.87
    gamma-butyrolactone 4372.89
    1-methoxy-2-propanol 5756.18
    pyridine 5028.95
    3-pentanone 3171.69
    furfural 3267.16
    n-dodecane 104.79
    diethylene glycol 2371.62
    diisopropyl ether 3103.13
    tert-amyl alcohol 9620.44
    acetylacetone 4556.48
    n-hexadecane 122.94
    acetophenone 1853.44
    methyl propionate 3740.21
    isopentyl acetate 6303.47
    trichloroethylene 8293.79
    n-nonanol 1498.53
    cyclohexanol 5949.18
    benzyl alcohol 1890.22
    2-ethylhexanol 3154.57
    isooctanol 1730.69
    dipropyl ether 3795.72
    1,2-dichlorobenzene 1924.28
    ethyl lactate 1104.72
    propylene carbonate 2929.08
    n-methylformamide 2310.09
    2-pentanol 7143.26
    n-pentane 1066.07
    1-propoxy-2-propanol 5055.45
    1-methoxy-2-propyl acetate 4234.18
    2-(2-methoxypropoxy) propanol 1972.21
    mesitylene 928.65
    ε-caprolactone 6186.74
    p-cymene 792.85
    epichlorohydrin 6703.3
    1,1,1-trichloroethane 5856.43
    2-aminoethanol 1755.08
    morpholine-4-carbaldehyde 3936.62
    sulfolane 2542.81
    2,2,4-trimethylpentane 504.8
    2-methyltetrahydrofuran 10461.39
    n-hexyl acetate 4039.41
    isooctane 414.54
    2-(2-butoxyethoxy)ethanol 3325.85
    sec-butyl acetate 4453.8
    tert-butyl acetate 5720.03
    decalin 589.13
    glycerin 911.49
    diglyme 5785.82
    acrylic acid 1453.49
    isopropyl myristate 1046.22
    n-butyric acid 8345.07
    acetyl acetate 3697.53
    di(2-ethylhexyl) phthalate 775.31
    ethyl propionate 3968.09
    nitromethane 5452.68
    1,2-diethoxyethane 6697.14
    benzonitrile 2501.22
    trioctyl phosphate 574.64
    1-bromopropane 4726.74
    gamma-valerolactone 6767.46
    n-decanol 959.24
    triethyl phosphate 845.4
    4-methyl-2-pentanol 3492.81
    propionitrile 4473.43
    vinylene carbonate 2306.42
    1,1,2-trichlorotrifluoroethane 3103.33
    DMS 1515.77
    cumene 958.76
    2-octanol 1679.34
    2-hexanone 4907.38
    octyl acetate 1285.43
    limonene 1531.5
    1,2-dimethoxyethane 8842.45
    ethyl orthosilicate 1025.48
    tributyl phosphate 813.72
    diacetone alcohol 4091.83
    N,N-dimethylaniline 1336.7
    acrylonitrile 3077.22
    aniline 2476.15
    1,3-propanediol 3824.73
    bromobenzene 2608.12
    dibromomethane 5682.96
    1,1,2,2-tetrachloroethane 6885.1
    2-methyl-cyclohexyl acetate 2063.17
    tetrabutyl urea 855.04
    diisobutyl methanol 1490.71
    2-phenylethanol 2050.0
    styrene 1762.62
    dioctyl adipate 1244.7
    dimethyl sulfate 677.8
    ethyl butyrate 4046.36
    methyl lactate 942.73
    butyl lactate 1695.12
    diethyl carbonate 1861.0
    propanediol butyl ether 2100.71
    triethyl orthoformate 2203.68
    p-tert-butyltoluene 738.52
    methyl 4-tert-butylbenzoate 1347.39
    morpholine 13762.57
    tert-butylamine 7824.06
    n-dodecanol 650.91
    dimethoxymethane 3523.07
    ethylene carbonate 2474.75
    cyrene 1231.67
    2-ethoxyethyl acetate 3359.52
    2-ethylhexyl acetate 4316.55
    1,2,4-trichlorobenzene 2119.09
    4-methylpyridine 5837.13
    dibutyl ether 3343.82
    2,6-dimethyl-4-heptanol 1490.71
    DEF 5464.01
    dimethyl isosorbide 2684.4
    tetrachloroethylene 4446.89
    eugenol 1335.6
    triacetin 1839.17
    span 80 1842.04
    1,4-butanediol 1455.68
    1,1-dichloroethane 6958.42
    2-methyl-1-pentanol 5607.88
    methyl formate 1417.57
    2-methyl-1-butanol 7101.76
    n-decane 234.4
    butyronitrile 7500.51
    3,7-dimethyl-1-octanol 2127.66
    1-chlorooctane 1168.33
    1-chlorotetradecane 330.92
    n-nonane 245.34
    undecane 147.67
    tert-butylcyclohexane 624.72
    cyclooctane 384.86
    cyclopentanol 4095.36
    tetrahydropyran 13586.54
    tert-amyl methyl ether 6912.19
    2,5,8-trioxanonane 2921.84
    1-hexene 4969.83
    2-isopropoxyethanol 4010.27
    2,2,2-trifluoroethanol 829.41
    methyl butyrate 5832.19

    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