2-Butenoic acid, 3-methyl-, 3,7-dimethyl-7-octen-1-yl ester

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  • Identifiers

    CAS number
    74499-48-2

    Molecular formula
    C15H26O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 87.14%
    Rose 78.62%
    Fruity 62.14%
    Sweet 55.07%
    Citrus 53.92%
    Herbal 47.54%
    Fresh 47.0%
    Geranium 46.19%
    Waxy 41.0%
    Green 37.23%

     

    Flavor
    Fruity 51.7%
    Floral 51.62%
    Herbal 41.04%
    Green 41.0%
    Woody 36.11%
    Sweet 32.89%
    Tropical 31.77%
    Geranium 30.88%
    Rose 30.85%
    Bergamot 28.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.48 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    287°C

    Flash point

    • 114.86 ˚C est.

  • Synonyms

    • 74499-48-2
    • DTXSID20888443
    • 2-Butenoic acid, 3-methyl-, 3,7-dimethyl-7-octenyl ester
    • 2-Butenoic acid, 3-methyl-, 3,7-dimethyl-7-octen-1-yl ester
    • RefChem:468032
    • DTXCID901027721
    • alpha-Citronellyl 3-methyl-2-butenoate
    • 3,7-dimethyloct-7-en-1-yl 3-methylbut-2-enoate
    • RVMWHJNYBIKURU-UHFFFAOYSA-N
    • 74499-48-2

  • Applications

    Chemical: 2-Butenoic acid, 3-methyl-, 3,7-dimethyl-7-octen-1-yl ester (CAS 74499-48-2) is primarily used in fragrance chemistry as a component or intermediate; in perfumery it can function as a fragrance ingredient and a fixative or drift modifier; in cosmetics/personal care it may be used as a scent ingredient in products such as lotions, shampoos, and creams; in household products it contributes to the scent profile of cleaners and air fresheners; in industrial manufacturing and the polymers sector it can serve as a processing aid or plasticizer-related additive; in coatings/inks or adhesives formulations it may be used as a fragrance additive or synthetic intermediate, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6397.96
    methanol 5305.61
    isopropanol 5851.34
    water 0.23
    ethyl acetate 3488.56
    n-propanol 4411.25
    acetone 4310.0
    n-butanol 4303.43
    acetonitrile 2277.17
    DMF 2538.29
    toluene 967.89
    isobutanol 3292.04
    1,4-dioxane 4676.04
    methyl acetate 1952.11
    THF 7107.53
    2-butanone 3214.07
    n-pentanol 2659.03
    sec-butanol 4365.59
    n-hexane 541.13
    ethylene glycol 225.88
    NMP 1839.03
    cyclohexane 749.34
    DMSO 2288.07
    n-butyl acetate 2356.33
    n-octanol 894.22
    chloroform 4823.37
    n-propyl acetate 1783.51
    acetic acid 2282.29
    dichloromethane 3868.91
    cyclohexanone 4303.8
    propylene glycol 899.88
    isopropyl acetate 2107.59
    DMAc 1773.86
    2-ethoxyethanol 2050.04
    isopentanol 3461.77
    n-heptane 224.97
    ethyl formate 1484.35
    1,2-dichloroethane 2728.33
    n-hexanol 2849.19
    2-methoxyethanol 3588.36
    isobutyl acetate 1131.12
    tetrachloromethane 545.3
    n-pentyl acetate 1162.68
    transcutol 6222.13
    n-heptanol 905.26
    ethylbenzene 581.2
    MIBK 1713.01
    2-propoxyethanol 2864.19
    tert-butanol 5531.25
    MTBE 3973.05
    2-butoxyethanol 1319.19
    propionic acid 1645.83
    o-xylene 564.85
    formic acid 396.53
    diethyl ether 3470.85
    m-xylene 735.39
    p-xylene 782.03
    chlorobenzene 1268.57
    dimethyl carbonate 361.89
    n-octane 81.79
    formamide 575.0
    cyclopentanone 3347.48
    2-pentanone 2970.66
    anisole 1103.81
    cyclopentyl methyl ether 2772.2
    gamma-butyrolactone 3053.44
    1-methoxy-2-propanol 3295.1
    pyridine 2587.99
    3-pentanone 1450.04
    furfural 1968.01
    n-dodecane 54.61
    diethylene glycol 1221.06
    diisopropyl ether 964.57
    tert-amyl alcohol 4082.81
    acetylacetone 2124.07
    n-hexadecane 64.86
    acetophenone 865.56
    methyl propionate 1562.87
    isopentyl acetate 2021.73
    trichloroethylene 4527.89
    n-nonanol 737.29
    cyclohexanol 3423.58
    benzyl alcohol 971.32
    2-ethylhexanol 1300.51
    isooctanol 725.15
    dipropyl ether 1473.44
    1,2-dichlorobenzene 997.06
    ethyl lactate 582.39
    propylene carbonate 1814.62
    n-methylformamide 1220.98
    2-pentanol 3198.06
    n-pentane 372.83
    1-propoxy-2-propanol 2329.84
    1-methoxy-2-propyl acetate 1778.47
    2-(2-methoxypropoxy) propanol 1157.72
    mesitylene 466.15
    ε-caprolactone 3039.84
    p-cymene 376.62
    epichlorohydrin 4064.84
    1,1,1-trichloroethane 2770.62
    2-aminoethanol 1000.65
    morpholine-4-carbaldehyde 2224.75
    sulfolane 2391.15
    2,2,4-trimethylpentane 184.43
    2-methyltetrahydrofuran 5415.31
    n-hexyl acetate 1735.36
    isooctane 164.39
    2-(2-butoxyethoxy)ethanol 1865.41
    sec-butyl acetate 1265.82
    tert-butyl acetate 2004.57
    decalin 234.76
    glycerin 693.66
    diglyme 2824.62
    acrylic acid 845.19
    isopropyl myristate 588.14
    n-butyric acid 3791.45
    acetyl acetate 1290.75
    di(2-ethylhexyl) phthalate 452.9
    ethyl propionate 1274.4
    nitromethane 2456.4
    1,2-diethoxyethane 2243.2
    benzonitrile 1170.97
    trioctyl phosphate 350.94
    1-bromopropane 2144.66
    gamma-valerolactone 4150.2
    n-decanol 520.05
    triethyl phosphate 416.49
    4-methyl-2-pentanol 1417.9
    propionitrile 1722.94
    vinylene carbonate 1307.87
    1,1,2-trichlorotrifluoroethane 1933.46
    DMS 758.2
    cumene 402.07
    2-octanol 689.12
    2-hexanone 2081.32
    octyl acetate 742.77
    limonene 757.63
    1,2-dimethoxyethane 3350.79
    ethyl orthosilicate 444.81
    tributyl phosphate 475.35
    diacetone alcohol 2081.01
    N,N-dimethylaniline 655.36
    acrylonitrile 1388.1
    aniline 1381.57
    1,3-propanediol 2140.49
    bromobenzene 1280.28
    dibromomethane 2812.91
    1,1,2,2-tetrachloroethane 4016.1
    2-methyl-cyclohexyl acetate 994.21
    tetrabutyl urea 550.5
    diisobutyl methanol 686.34
    2-phenylethanol 1071.43
    styrene 681.6
    dioctyl adipate 749.79
    dimethyl sulfate 448.06
    ethyl butyrate 1362.89
    methyl lactate 633.59
    butyl lactate 860.96
    diethyl carbonate 725.45
    propanediol butyl ether 1385.25
    triethyl orthoformate 839.31
    p-tert-butyltoluene 363.5
    methyl 4-tert-butylbenzoate 805.7
    morpholine 6673.17
    tert-butylamine 3198.17
    n-dodecanol 380.37
    dimethoxymethane 1898.99
    ethylene carbonate 1320.32
    cyrene 784.67
    2-ethoxyethyl acetate 1339.14
    2-ethylhexyl acetate 1431.41
    1,2,4-trichlorobenzene 1147.82
    4-methylpyridine 2737.33
    dibutyl ether 1412.67
    2,6-dimethyl-4-heptanol 686.34
    DEF 2069.74
    dimethyl isosorbide 1740.73
    tetrachloroethylene 2130.35
    eugenol 783.22
    triacetin 1038.41
    span 80 1197.76
    1,4-butanediol 658.26
    1,1-dichloroethane 3451.9
    2-methyl-1-pentanol 2165.39
    methyl formate 804.33
    2-methyl-1-butanol 2947.03
    n-decane 107.33
    butyronitrile 2904.7
    3,7-dimethyl-1-octanol 1001.71
    1-chlorooctane 574.35
    1-chlorotetradecane 191.16
    n-nonane 114.42
    undecane 72.49
    tert-butylcyclohexane 240.08
    cyclooctane 166.14
    cyclopentanol 2810.8
    tetrahydropyran 6847.8
    tert-amyl methyl ether 2141.2
    2,5,8-trioxanonane 1699.25
    1-hexene 1800.5
    2-isopropoxyethanol 1471.82
    2,2,2-trifluoroethanol 374.82
    methyl butyrate 1966.53

    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