Cuminyl acetate

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  • Identifiers

    CAS number
    59230-57-8

    Molecular formula
    C12H16O2

    SMILES
    CC(C)C1=CC=C(C=C1)COC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 90.96%
    Sweet 77.63%
    Herbal 72.42%
    Fresh 55.54%
    Floral 53.41%
    Green 50.19%
    Spicy 49.13%
    Woody 42.85%
    Balsamic 39.71%
    Banana 29.96%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point est.
    113.6 ˚C

  • Synonyms

    • Cuminyl acetate
    • 4-Isopropylbenzyl acetate
    • 59230-57-8
    • p-Isopropylbenzyl acetate
    • (4-propan-2-ylphenyl)methyl acetate
    • Benzenemethanol, 4-(1-methylethyl)-, acetate
    • EINECS 261-671-5
    • p-Cymen-7-ol acetate
    • BRN 1950785
    • 4-(1-Methylethyl)benzenemethanol acetate
    • p-Cymene-7-ol acetate
    • Cuminic alcohol, acetate
    • DTXSID0052259
    • Benzenemethanol, 4-(1-methylethyl)-, 1-acetate
    • 3-06-00-01912 (Beilstein Handbook Reference)
    • Cuminyl acetic acid
    • ACETIC ACID 4-ISOPROPYLBENZYL ESTER
    • YDV7UWR262
    • SCHEMBL873057
    • DTXCID9030830
    • AKOS024323718
    • NS00012144
    • Q63398877
    • 261-671-5

  • Applications

    Cuminyl acetate (CAS 59230-57-8) is a fragrant ester with a warm, spicy, slightly woody and herbal cumin-like profile, widely used in: (1) fine fragrances as a middle-note modifier to add spicy warmth and depth to oriental, spicy, fougère and chypre accords and many unisex builds; (2) cosmetics/personal care (creams, shampoos, body washes, soaps, body sprays) to boost diffusion and longevity while delivering a natural warm-clean feel; (3) home care such as cleaners, fabric softeners, air care sprays/gels, scented candles and diffusers to create kitchen, warm-woody or culinary-inspired ambiences; (4) flavor applications at very low dosage in savory snacks, soups, sauces, processed meats, dry seasonings and savory beverages to reinforce cumin-like facets and add depth, often balanced with aldehydes, phenolics and lactones; (5) formulation as a modulator that bridges herbal–resinous–citrus notes, smoothing harsh edges and rounding the profile; it is generally stable near neutral pH but may hydrolyze under strong alkaline conditions or heat/moisture, so attention to pH, antioxidants and encapsulation, and compliance with IFRA and local food/cosmetic regulations, is recommended.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 865.64
    methanol 851.87
    isopropanol 530.47
    water 0.36
    ethyl acetate 963.8
    n-propanol 590.9
    acetone 976.78
    n-butanol 445.08
    acetonitrile 952.5
    DMF 1165.86
    toluene 268.53
    isobutanol 339.17
    1,4-dioxane 1449.48
    methyl acetate 940.18
    THF 1030.24
    2-butanone 906.08
    n-pentanol 338.3
    sec-butanol 415.98
    n-hexane 30.45
    ethylene glycol 114.39
    NMP 676.62
    cyclohexane 25.41
    DMSO 1018.54
    n-butyl acetate 446.21
    n-octanol 91.59
    chloroform 1923.63
    n-propyl acetate 429.7
    acetic acid 383.8
    dichloromethane 1811.94
    cyclohexanone 691.58
    propylene glycol 278.53
    isopropyl acetate 398.95
    DMAc 1008.85
    2-ethoxyethanol 614.13
    isopentanol 351.61
    n-heptane 9.55
    ethyl formate 377.29
    1,2-dichloroethane 1117.12
    n-hexanol 286.71
    2-methoxyethanol 895.75
    isobutyl acetate 255.53
    tetrachloromethane 133.05
    n-pentyl acetate 164.05
    transcutol 1948.23
    n-heptanol 93.33
    ethylbenzene 160.04
    MIBK 278.18
    2-propoxyethanol 593.82
    tert-butanol 622.04
    MTBE 596.93
    2-butoxyethanol 230.15
    propionic acid 425.03
    o-xylene 157.55
    formic acid 135.93
    diethyl ether 694.89
    m-xylene 162.69
    p-xylene 198.84
    chlorobenzene 385.19
    dimethyl carbonate 212.51
    n-octane 4.86
    formamide 349.67
    cyclopentanone 826.76
    2-pentanone 592.97
    anisole 461.78
    cyclopentyl methyl ether 419.45
    gamma-butyrolactone 902.17
    1-methoxy-2-propanol 641.0
    pyridine 785.64
    3-pentanone 461.45
    furfural 772.33
    n-dodecane 4.54
    diethylene glycol 375.8
    diisopropyl ether 117.23
    tert-amyl alcohol 471.73
    acetylacetone 595.41
    n-hexadecane 5.34
    acetophenone 350.98
    methyl propionate 630.21
    isopentyl acetate 365.41
    trichloroethylene 1945.67
    n-nonanol 84.51
    cyclohexanol 295.33
    benzyl alcohol 330.43
    2-ethylhexanol 152.28
    isooctanol 78.6
    dipropyl ether 188.51
    1,2-dichlorobenzene 343.87
    ethyl lactate 179.04
    propylene carbonate 463.11
    n-methylformamide 557.54
    2-pentanol 257.34
    n-pentane 13.73
    1-propoxy-2-propanol 375.35
    1-methoxy-2-propyl acetate 455.94
    2-(2-methoxypropoxy) propanol 313.1
    mesitylene 86.36
    ε-caprolactone 617.71
    p-cymene 73.36
    epichlorohydrin 1328.88
    1,1,1-trichloroethane 770.42
    2-aminoethanol 337.09
    morpholine-4-carbaldehyde 923.23
    sulfolane 871.36
    2,2,4-trimethylpentane 15.02
    2-methyltetrahydrofuran 792.85
    n-hexyl acetate 258.87
    isooctane 10.49
    2-(2-butoxyethoxy)ethanol 435.15
    sec-butyl acetate 286.04
    tert-butyl acetate 385.07
    decalin 25.32
    glycerin 258.9
    diglyme 809.66
    acrylic acid 300.96
    isopropyl myristate 93.27
    n-butyric acid 508.45
    acetyl acetate 365.01
    di(2-ethylhexyl) phthalate 102.51
    ethyl propionate 374.46
    nitromethane 930.8
    1,2-diethoxyethane 545.63
    benzonitrile 360.79
    trioctyl phosphate 61.44
    1-bromopropane 506.07
    gamma-valerolactone 1071.56
    n-decanol 62.87
    triethyl phosphate 123.48
    4-methyl-2-pentanol 137.58
    propionitrile 564.86
    vinylene carbonate 436.27
    1,1,2-trichlorotrifluoroethane 704.35
    DMS 314.87
    cumene 104.13
    2-octanol 60.75
    2-hexanone 416.78
    octyl acetate 120.43
    limonene 102.17
    1,2-dimethoxyethane 907.32
    ethyl orthosilicate 119.66
    tributyl phosphate 97.64
    diacetone alcohol 428.4
    N,N-dimethylaniline 249.79
    acrylonitrile 634.56
    aniline 422.33
    1,3-propanediol 389.22
    bromobenzene 408.96
    dibromomethane 1074.7
    1,1,2,2-tetrachloroethane 1529.65
    2-methyl-cyclohexyl acetate 215.91
    tetrabutyl urea 115.51
    diisobutyl methanol 76.63
    2-phenylethanol 274.77
    styrene 222.13
    dioctyl adipate 160.27
    dimethyl sulfate 321.76
    ethyl butyrate 289.01
    methyl lactate 225.47
    butyl lactate 156.8
    diethyl carbonate 202.48
    propanediol butyl ether 250.73
    triethyl orthoformate 174.38
    p-tert-butyltoluene 71.69
    methyl 4-tert-butylbenzoate 219.22
    morpholine 1672.12
    tert-butylamine 321.92
    n-dodecanol 47.2
    dimethoxymethane 646.97
    ethylene carbonate 358.58
    cyrene 279.61
    2-ethoxyethyl acetate 343.15
    2-ethylhexyl acetate 277.63
    1,2,4-trichlorobenzene 447.0
    4-methylpyridine 806.13
    dibutyl ether 166.09
    2,6-dimethyl-4-heptanol 76.63
    DEF 650.35
    dimethyl isosorbide 475.71
    tetrachloroethylene 763.18
    eugenol 235.93
    triacetin 306.19
    span 80 215.62
    1,4-butanediol 171.68
    1,1-dichloroethane 1079.81
    2-methyl-1-pentanol 308.81
    methyl formate 354.83
    2-methyl-1-butanol 333.58
    n-decane 8.17
    butyronitrile 504.52
    3,7-dimethyl-1-octanol 117.65
    1-chlorooctane 63.13
    1-chlorotetradecane 23.35
    n-nonane 7.42
    undecane 5.84
    tert-butylcyclohexane 27.32
    cyclooctane 7.52
    cyclopentanol 272.89
    tetrahydropyran 905.31
    tert-amyl methyl ether 347.86
    2,5,8-trioxanonane 543.53
    1-hexene 200.87
    2-isopropoxyethanol 416.39
    2,2,2-trifluoroethanol 132.03
    methyl butyrate 498.97

    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

Botanical

Name CAS Botanical Proportion
Pinus pinaster (France) 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.1%