2-Isopropyl-5-methylhex-4-enyl acetate

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  • Identifiers

    CAS number
    74912-37-1

    Molecular formula
    C12H22O2

    SMILES
    CC(C)C(CC=C(C)C)COC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 80.54%
    Herbal 64.79%
    Sweet 60.6%
    Floral 57.35%
    Citrus 49.57%
    Woody 46.87%
    Rose 44.98%
    Fresh 43.37%
    Spicy 40.67%
    Bergamot 40.6%

     

    Flavor
    Floral 64.25%
    Green 58.32%
    Fruity 56.82%
    Sweet 54.45%
    Rose 51.54%
    Tropical 47.82%
    Woody 44.95%
    Citrus 44.12%
    Bergamot 42.59%
    Herbal 42.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    9.25 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 87.75 ˚C est.

  • Synonyms

    • 2-Isopropyl-5-methylhex-4-enyl acetate
    • 74912-37-1
    • UNII-N75R61RYPB
    • N75R61RYPB
    • EINECS 278-019-0
    • 4-HEXEN-1-OL, 5-METHYL-2-(1-METHYLETHYL)-, 1-ACETATE
    • RefChem:87733
    • 278-019-0
    • 5-Methyl-2-(propan-2-yl)hex-4-en-1-yl acetate
    • SCHEMBL1471945
    • DTXSID60996399
    • JMTJOEMOBHPDMW-UHFFFAOYSA-N
    • NS00012757
    • 5-methyl-2-(1-methylethyl)-4-hexen-1-ol acetate
    • Q27284656
    • 74912-37-1

  • Applications

    2-Isopropyl-5-methylhex-4-enyl acetate (CAS 74912-37-1) is primarily encountered as a fragrance ingredient and aroma chemical used in perfumery and personal care. In perfumery it can serve as an aroma constituent and may function as a fixative or carrier for other notes; in cosmetics and personal care it is added to formulations to contribute a specific scent profile. It is also used as a fragrance component in household products such as cleaners and air fresheners. In industrial manufacturing it can act as an intermediate in the synthesis of fragrance compounds, and in coatings or inks it may function as a solvent or processing aid where a delicate aroma is desired. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 833.73
    methanol 610.95
    isopropanol 951.11
    water 1.17
    ethyl acetate 561.76
    n-propanol 668.28
    acetone 721.32
    n-butanol 670.09
    acetonitrile 474.83
    DMF 630.75
    toluene 346.55
    isobutanol 567.98
    1,4-dioxane 1332.97
    methyl acetate 515.4
    THF 1510.95
    2-butanone 589.54
    n-pentanol 489.65
    sec-butanol 799.11
    n-hexane 164.69
    ethylene glycol 106.08
    NMP 610.27
    cyclohexane 247.39
    DMSO 500.36
    n-butyl acetate 496.65
    n-octanol 392.8
    chloroform 1921.08
    n-propyl acetate 349.91
    acetic acid 495.94
    dichloromethane 1234.32
    cyclohexanone 882.78
    propylene glycol 358.1
    isopropyl acetate 376.62
    DMAc 595.88
    2-ethoxyethanol 469.57
    isopentanol 613.16
    n-heptane 106.84
    ethyl formate 311.42
    1,2-dichloroethane 608.49
    n-hexanol 665.74
    2-methoxyethanol 695.83
    isobutyl acetate 278.46
    tetrachloromethane 296.8
    n-pentyl acetate 330.42
    transcutol 1465.38
    n-heptanol 338.96
    ethylbenzene 254.74
    MIBK 321.63
    2-propoxyethanol 674.17
    tert-butanol 1257.0
    MTBE 779.86
    2-butoxyethanol 450.23
    propionic acid 445.24
    o-xylene 270.51
    formic acid 111.61
    diethyl ether 478.7
    m-xylene 284.98
    p-xylene 381.52
    chlorobenzene 415.38
    dimethyl carbonate 126.84
    n-octane 52.51
    formamide 156.85
    cyclopentanone 844.51
    2-pentanone 470.66
    anisole 424.3
    cyclopentyl methyl ether 601.68
    gamma-butyrolactone 798.02
    1-methoxy-2-propanol 696.66
    pyridine 698.61
    3-pentanone 311.16
    furfural 692.03
    n-dodecane 46.99
    diethylene glycol 388.46
    diisopropyl ether 204.1
    tert-amyl alcohol 932.89
    acetylacetone 510.33
    n-hexadecane 52.44
    acetophenone 360.29
    methyl propionate 344.56
    isopentyl acetate 471.19
    trichloroethylene 1220.8
    n-nonanol 339.49
    cyclohexanol 773.89
    benzyl alcohol 368.73
    2-ethylhexanol 413.78
    isooctanol 274.69
    dipropyl ether 334.81
    1,2-dichlorobenzene 372.54
    ethyl lactate 195.93
    propylene carbonate 535.05
    n-methylformamide 249.14
    2-pentanol 551.7
    n-pentane 122.42
    1-propoxy-2-propanol 579.1
    1-methoxy-2-propyl acetate 443.59
    2-(2-methoxypropoxy) propanol 475.23
    mesitylene 194.4
    ε-caprolactone 772.32
    p-cymene 189.11
    epichlorohydrin 899.56
    1,1,1-trichloroethane 909.42
    2-aminoethanol 313.76
    morpholine-4-carbaldehyde 775.59
    sulfolane 762.4
    2,2,4-trimethylpentane 85.15
    2-methyltetrahydrofuran 1176.68
    n-hexyl acetate 537.57
    isooctane 64.7
    2-(2-butoxyethoxy)ethanol 623.8
    sec-butyl acetate 279.01
    tert-butyl acetate 432.23
    decalin 122.18
    glycerin 309.58
    diglyme 855.64
    acrylic acid 297.04
    isopropyl myristate 240.76
    n-butyric acid 690.28
    acetyl acetate 350.54
    di(2-ethylhexyl) phthalate 234.76
    ethyl propionate 283.89
    nitromethane 562.13
    1,2-diethoxyethane 500.22
    benzonitrile 441.2
    trioctyl phosphate 173.72
    1-bromopropane 502.76
    gamma-valerolactone 1057.67
    n-decanol 254.75
    triethyl phosphate 188.2
    4-methyl-2-pentanol 321.53
    propionitrile 417.04
    vinylene carbonate 459.35
    1,1,2-trichlorotrifluoroethane 668.38
    DMS 321.24
    cumene 194.29
    2-octanol 274.62
    2-hexanone 403.83
    octyl acetate 306.95
    limonene 303.57
    1,2-dimethoxyethane 724.56
    ethyl orthosilicate 185.7
    tributyl phosphate 204.77
    diacetone alcohol 513.16
    N,N-dimethylaniline 292.06
    acrylonitrile 376.92
    aniline 435.21
    1,3-propanediol 444.22
    bromobenzene 440.16
    dibromomethane 903.57
    1,1,2,2-tetrachloroethane 1184.0
    2-methyl-cyclohexyl acetate 371.21
    tetrabutyl urea 235.9
    diisobutyl methanol 231.18
    2-phenylethanol 399.11
    styrene 284.57
    dioctyl adipate 336.08
    dimethyl sulfate 192.87
    ethyl butyrate 341.7
    methyl lactate 219.26
    butyl lactate 294.94
    diethyl carbonate 242.48
    propanediol butyl ether 552.93
    triethyl orthoformate 257.53
    p-tert-butyltoluene 198.76
    methyl 4-tert-butylbenzoate 395.31
    morpholine 1480.61
    tert-butylamine 803.94
    n-dodecanol 203.7
    dimethoxymethane 384.62
    ethylene carbonate 383.71
    cyrene 380.33
    2-ethoxyethyl acetate 391.66
    2-ethylhexyl acetate 375.55
    1,2,4-trichlorobenzene 476.09
    4-methylpyridine 774.78
    dibutyl ether 370.98
    2,6-dimethyl-4-heptanol 231.18
    DEF 402.44
    dimethyl isosorbide 676.75
    tetrachloroethylene 645.47
    eugenol 360.23
    triacetin 469.99
    span 80 523.23
    1,4-butanediol 207.76
    1,1-dichloroethane 918.8
    2-methyl-1-pentanol 450.56
    methyl formate 188.88
    2-methyl-1-butanol 552.86
    n-decane 77.59
    butyronitrile 536.86
    3,7-dimethyl-1-octanol 365.42
    1-chlorooctane 233.23
    1-chlorotetradecane 109.24
    n-nonane 76.03
    undecane 58.18
    tert-butylcyclohexane 126.66
    cyclooctane 79.06
    cyclopentanol 712.66
    tetrahydropyran 1286.8
    tert-amyl methyl ether 519.99
    2,5,8-trioxanonane 633.49
    1-hexene 390.86
    2-isopropoxyethanol 383.52
    2,2,2-trifluoroethanol 151.58
    methyl butyrate 383.03

    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