2-Butenoic acid, 2(or 3)-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester

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  • Identifiers

    CAS number
    61827-81-4

    Molecular formula
    C15H24O2

    SMILES
    CC=C(C)C(=O)OCC=C(C)CCC=C(C)C

  • Odor profile

    Fragrance
    Fruity 84.03%
    Floral 78.98%
    Rose 73.38%
    Sweet 65.78%
    Herbal 57.96%
    Citrus 47.97%
    Apple 43.38%
    Tropical 43.0%
    Geranium 42.97%
    Green 42.44%

     

    Flavor
    Fruity 56.15%
    Sweet 54.54%
    Herbal 47.18%
    Rose 45.64%
    Floral 36.19%
    Spicy 34.8%
    Green 34.57%
    Bergamot 30.45%
    Geranium 30.31%
    Tropical 28.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.55 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    278°C

    Flash point

    • 126.11 ˚C est.

  • Synonyms

    • DTXSID8069511
    • 2-Butenoic acid, 2(or 3)-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
    • Geranium extract
    • Geranyltiglate
    • 61827-81-4
    • Geranium oil, Chinese
    • DTXCID8043151
    • PD056736
    • Q67879903

  • Applications

    2-Butenoic acid, 2(or 3)-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester (CAS 61827-81-4) is primarily used as a fragrance ingredient and fixative in perfumery, helping to extend and stabilize aroma. In cosmetics and personal care, it is employed as a scent component or lightweight solvent. In household products such as air fresheners and detergents, it provides fragrance. In industrial manufacturing, it can serve as a fragrance additive and processing aid in coatings, inks, and related formulations. It may also be used as an intermediate in fragrance synthesis or in certain plastics/polymers formulations, subject to regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 846.82
    methanol 497.29
    isopropanol 738.26
    water 0.07
    ethyl acetate 1544.18
    n-propanol 676.43
    acetone 731.83
    n-butanol 810.66
    acetonitrile 651.05
    DMF 468.74
    toluene 821.8
    isobutanol 564.4
    1,4-dioxane 1812.07
    methyl acetate 790.12
    THF 1977.9
    2-butanone 1080.88
    n-pentanol 644.85
    sec-butanol 992.75
    n-hexane 395.32
    ethylene glycol 16.62
    NMP 542.35
    cyclohexane 478.86
    DMSO 363.91
    n-butyl acetate 1037.59
    n-octanol 310.42
    chloroform 2541.42
    n-propyl acetate 843.18
    acetic acid 396.13
    dichloromethane 2146.5
    cyclohexanone 1345.84
    propylene glycol 77.34
    isopropyl acetate 958.77
    DMAc 767.18
    2-ethoxyethanol 604.24
    isopentanol 850.93
    n-heptane 122.25
    ethyl formate 378.61
    1,2-dichloroethane 1435.37
    n-hexanol 748.9
    2-methoxyethanol 667.73
    isobutyl acetate 546.98
    tetrachloromethane 364.97
    n-pentyl acetate 580.25
    transcutol 2665.14
    n-heptanol 333.84
    ethylbenzene 574.27
    MIBK 666.26
    2-propoxyethanol 771.07
    tert-butanol 1197.17
    MTBE 2088.04
    2-butoxyethanol 487.3
    propionic acid 325.01
    o-xylene 497.15
    formic acid 63.61
    diethyl ether 2087.94
    m-xylene 545.51
    p-xylene 716.2
    chlorobenzene 771.41
    dimethyl carbonate 152.32
    n-octane 52.82
    formamide 132.4
    cyclopentanone 939.39
    2-pentanone 1000.52
    anisole 801.4
    cyclopentyl methyl ether 1110.97
    gamma-butyrolactone 755.44
    1-methoxy-2-propanol 611.66
    pyridine 1255.09
    3-pentanone 751.22
    furfural 635.82
    n-dodecane 31.93
    diethylene glycol 249.26
    diisopropyl ether 590.56
    tert-amyl alcohol 1344.18
    acetylacetone 747.07
    n-hexadecane 37.78
    acetophenone 607.42
    methyl propionate 642.72
    isopentyl acetate 993.7
    trichloroethylene 2363.23
    n-nonanol 301.71
    cyclohexanol 815.56
    benzyl alcohol 440.96
    2-ethylhexanol 519.4
    isooctanol 316.55
    dipropyl ether 666.88
    1,2-dichlorobenzene 683.54
    ethyl lactate 211.76
    propylene carbonate 522.45
    n-methylformamide 199.5
    2-pentanol 820.56
    n-pentane 226.38
    1-propoxy-2-propanol 663.72
    1-methoxy-2-propyl acetate 787.2
    2-(2-methoxypropoxy) propanol 569.99
    mesitylene 351.66
    ε-caprolactone 1122.23
    p-cymene 253.08
    epichlorohydrin 1433.76
    1,1,1-trichloroethane 1611.52
    2-aminoethanol 107.69
    morpholine-4-carbaldehyde 732.18
    sulfolane 672.4
    2,2,4-trimethylpentane 143.25
    2-methyltetrahydrofuran 2016.93
    n-hexyl acetate 775.01
    isooctane 103.47
    2-(2-butoxyethoxy)ethanol 770.18
    sec-butyl acetate 790.14
    tert-butyl acetate 986.81
    decalin 230.04
    glycerin 86.09
    diglyme 1307.02
    acrylic acid 176.07
    isopropyl myristate 287.11
    n-butyric acid 801.24
    acetyl acetate 639.73
    di(2-ethylhexyl) phthalate 227.21
    ethyl propionate 770.49
    nitromethane 571.06
    1,2-diethoxyethane 1307.69
    benzonitrile 525.71
    trioctyl phosphate 150.14
    1-bromopropane 1269.18
    gamma-valerolactone 1083.25
    n-decanol 209.84
    triethyl phosphate 261.45
    4-methyl-2-pentanol 446.85
    propionitrile 595.62
    vinylene carbonate 421.82
    1,1,2-trichlorotrifluoroethane 565.29
    DMS 423.58
    cumene 347.28
    2-octanol 272.49
    2-hexanone 855.38
    octyl acetate 351.24
    limonene 418.96
    1,2-dimethoxyethane 1348.6
    ethyl orthosilicate 294.74
    tributyl phosphate 212.14
    diacetone alcohol 704.19
    N,N-dimethylaniline 509.78
    acrylonitrile 461.54
    aniline 598.97
    1,3-propanediol 286.96
    bromobenzene 903.37
    dibromomethane 1591.18
    1,1,2,2-tetrachloroethane 2010.93
    2-methyl-cyclohexyl acetate 580.95
    tetrabutyl urea 242.66
    diisobutyl methanol 284.19
    2-phenylethanol 501.71
    styrene 635.12
    dioctyl adipate 387.46
    dimethyl sulfate 185.64
    ethyl butyrate 763.64
    methyl lactate 153.75
    butyl lactate 305.32
    diethyl carbonate 429.07
    propanediol butyl ether 337.51
    triethyl orthoformate 482.03
    p-tert-butyltoluene 245.85
    methyl 4-tert-butylbenzoate 473.56
    morpholine 2134.77
    tert-butylamine 954.79
    n-dodecanol 150.47
    dimethoxymethane 545.95
    ethylene carbonate 400.25
    cyrene 354.41
    2-ethoxyethyl acetate 700.48
    2-ethylhexyl acetate 799.96
    1,2,4-trichlorobenzene 770.28
    4-methylpyridine 1353.02
    dibutyl ether 640.86
    2,6-dimethyl-4-heptanol 284.19
    DEF 989.95
    dimethyl isosorbide 893.57
    tetrachloroethylene 1171.66
    eugenol 413.6
    triacetin 555.81
    span 80 484.66
    1,4-butanediol 101.92
    1,1-dichloroethane 1650.02
    2-methyl-1-pentanol 754.92
    methyl formate 127.12
    2-methyl-1-butanol 826.26
    n-decane 66.75
    butyronitrile 892.69
    3,7-dimethyl-1-octanol 392.71
    1-chlorooctane 312.23
    1-chlorotetradecane 106.07
    n-nonane 64.96
    undecane 43.62
    tert-butylcyclohexane 207.18
    cyclooctane 139.66
    cyclopentanol 499.72
    tetrahydropyran 2421.02
    tert-amyl methyl ether 1388.16
    2,5,8-trioxanonane 827.74
    1-hexene 947.75
    2-isopropoxyethanol 543.13
    2,2,2-trifluoroethanol 87.46
    methyl butyrate 963.49

    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