Dimethylphenethyl formate, alpha,alpha-

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  • Identifiers

    CAS number
    10058-43-2

    Molecular formula
    C11H14O2

    SMILES
    CC(C)(CC1=CC=CC=C1)OC=O

  • Odor profile

    Fragrance
    Green 78.12%
    Herbal 68.62%
    Floral 64.54%
    Spicy 52.59%
    Fresh 45.91%
    Fruity 37.82%
    Leafy 36.71%
    Woody 35.03%
    Rose 32.54%
    Cortex 31.48%

     

    Flavor
    Bitter 79.77%
    Floral 73.76%
    Green 67.55%
    Rose 60.3%
    Sweet 59.35%
    Fruity 53.96%
    Herbal 40.2%
    Citrus 38.82%
    Tropical 34.51%
    Fresh 33.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.87 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 221.00 to 222.00 °C. @ 760.00 mm Hg

    Flash point

    • 100.97 ˚C est.

    Solubility expt.

    • slightly
    • Soluble in mineral oil, most fixed oils and propylene glycol; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Dmbc formate
    • 10058-43-2
    • alpha,alpha-Dimethylphenethyl formate
    • Benzyl dimethyl carbinyl formate
    • Dimethyl benzyl carbinyl formate
    • 2-Benzyl-2-propyl formate
    • FEMA No. 2395
    • (2-methyl-1-phenylpropan-2-yl) formate
    • 2-methyl-1-phenylpropan-2-yl formate
    • alpha,alpha-Dimethylbenzeneethyl formate
    • Dimethylphenethyl formate, alpha,alpha-
    • Benzeneethanol, alpha,alpha-dimethyl-, 1-formate
    • 48E8S6VRQ8
    • Benzeneethanol, .alpha.,.alpha.-dimethyl-, formate
    • Benzeneethanol, alpha,alpha-dimethyl-, formate
    • Phenethyl alcohol, alpha,alpha-dimethyl-, formate
    • DTXSID50864199
    • BENZYLDIMETHYLCARBINYL FORMATE
    • 2-Methyl-1-phenyl-2-propyl formate
    • Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-formate
    • Phenethyl alcohol, .alpha.,.alpha.-dimethyl-, formate
    • .ALPHA.,.ALPHA.-DIMETHYLPHENETHYL FORMATE
    • DIMETHYLPHENETHYL FORMATE, .ALPHA.,.ALPHA.-
    • .ALPHA.,.ALPHA.-DIMETHYLPHENETHYL FORMATE [FHFI]
    • UNII-48E8S6VRQ8
    • a,a-Dimethylphenethyl formate
    • SCHEMBL95877
    • FEMA 2395
    • DTXCID40812745
    • CFSCYYFRHIBXMS-UHFFFAOYSA-N
    • CHEBI:173826
    • (2-methyl-1-phenylpropan-2-yl) ormate
    • Alpha,alpha-dimethyl-benzeneethanol formate
    • DB-253749
    • Q27259135
    • 600-112-5

  • Applications

    Dimethylphenethyl formate, alpha,alpha- (CAS 10058-43-2) is used mainly in the fragrance industry as an odorant and as a fixative to improve scent longevity in perfumery. In cosmetics and personal care, it is commonly evaluated as a fragrance ingredient. In household products and cleaning formulations, it contributes odor characteristics. In industrial manufacturing, it serves as an intermediate in the synthesis of fragrance-related esters. It may be used as a solvent or co-solvent in specialized fragrance formulations, subject to local regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 327.25
    methanol 479.04
    isopropanol 222.11
    water 1.49
    ethyl acetate 277.89
    n-propanol 274.24
    acetone 418.81
    n-butanol 230.16
    acetonitrile 275.92
    DMF 602.8
    toluene 141.96
    isobutanol 196.9
    1,4-dioxane 487.75
    methyl acetate 311.2
    THF 643.52
    2-butanone 320.59
    n-pentanol 162.65
    sec-butanol 194.92
    n-hexane 44.63
    ethylene glycol 123.28
    NMP 489.21
    cyclohexane 45.64
    DMSO 530.09
    n-butyl acetate 220.18
    n-octanol 113.96
    chloroform 933.94
    n-propyl acetate 175.62
    acetic acid 310.44
    dichloromethane 719.35
    cyclohexanone 491.86
    propylene glycol 209.82
    isopropyl acetate 160.29
    DMAc 481.19
    2-ethoxyethanol 210.9
    isopentanol 190.22
    n-heptane 25.02
    ethyl formate 182.57
    1,2-dichloroethane 452.11
    n-hexanol 269.14
    2-methoxyethanol 360.73
    isobutyl acetate 133.79
    tetrachloromethane 80.9
    n-pentyl acetate 107.95
    transcutol 800.79
    n-heptanol 93.17
    ethylbenzene 105.15
    MIBK 180.26
    2-propoxyethanol 361.89
    tert-butanol 292.42
    MTBE 211.42
    2-butoxyethanol 149.89
    propionic acid 310.36
    o-xylene 110.41
    formic acid 126.6
    diethyl ether 229.14
    m-xylene 122.58
    p-xylene 123.54
    chlorobenzene 232.3
    dimethyl carbonate 146.55
    n-octane 9.8
    formamide 129.81
    cyclopentanone 544.79
    2-pentanone 263.08
    anisole 228.46
    cyclopentyl methyl ether 304.22
    gamma-butyrolactone 591.0
    1-methoxy-2-propanol 328.68
    pyridine 303.8
    3-pentanone 222.6
    furfural 436.87
    n-dodecane 9.43
    diethylene glycol 279.36
    diisopropyl ether 73.81
    tert-amyl alcohol 220.36
    acetylacetone 298.98
    n-hexadecane 10.67
    acetophenone 201.8
    methyl propionate 267.41
    isopentyl acetate 196.82
    trichloroethylene 818.4
    n-nonanol 94.64
    cyclohexanol 239.04
    benzyl alcohol 166.36
    2-ethylhexanol 140.52
    isooctanol 77.22
    dipropyl ether 149.31
    1,2-dichlorobenzene 228.17
    ethyl lactate 126.41
    propylene carbonate 360.15
    n-methylformamide 249.53
    2-pentanol 152.08
    n-pentane 26.72
    1-propoxy-2-propanol 258.79
    1-methoxy-2-propyl acetate 253.41
    2-(2-methoxypropoxy) propanol 212.83
    mesitylene 80.3
    ε-caprolactone 379.47
    p-cymene 69.83
    epichlorohydrin 594.5
    1,1,1-trichloroethane 389.79
    2-aminoethanol 225.46
    morpholine-4-carbaldehyde 473.6
    sulfolane 653.98
    2,2,4-trimethylpentane 18.45
    2-methyltetrahydrofuran 403.52
    n-hexyl acetate 199.94
    isooctane 15.6
    2-(2-butoxyethoxy)ethanol 269.78
    sec-butyl acetate 124.17
    tert-butyl acetate 197.23
    decalin 30.26
    glycerin 222.91
    diglyme 430.41
    acrylic acid 260.4
    isopropyl myristate 86.39
    n-butyric acid 318.83
    acetyl acetate 190.66
    di(2-ethylhexyl) phthalate 91.98
    ethyl propionate 172.53
    nitromethane 453.45
    1,2-diethoxyethane 205.39
    benzonitrile 200.75
    trioctyl phosphate 66.88
    1-bromopropane 249.47
    gamma-valerolactone 552.88
    n-decanol 75.0
    triethyl phosphate 94.73
    4-methyl-2-pentanol 99.93
    propionitrile 257.2
    vinylene carbonate 325.22
    1,1,2-trichlorotrifluoroethane 418.87
    DMS 202.82
    cumene 82.54
    2-octanol 65.49
    2-hexanone 197.4
    octyl acetate 107.91
    limonene 97.36
    1,2-dimethoxyethane 363.89
    ethyl orthosilicate 86.9
    tributyl phosphate 89.79
    diacetone alcohol 253.44
    N,N-dimethylaniline 155.77
    acrylonitrile 294.8
    aniline 194.95
    1,3-propanediol 202.98
    bromobenzene 229.61
    dibromomethane 455.35
    1,1,2,2-tetrachloroethane 690.47
    2-methyl-cyclohexyl acetate 157.23
    tetrabutyl urea 112.38
    diisobutyl methanol 79.54
    2-phenylethanol 191.71
    styrene 120.25
    dioctyl adipate 130.19
    dimethyl sulfate 226.95
    ethyl butyrate 159.77
    methyl lactate 183.14
    butyl lactate 122.99
    diethyl carbonate 126.51
    propanediol butyl ether 199.5
    triethyl orthoformate 111.95
    p-tert-butyltoluene 72.16
    methyl 4-tert-butylbenzoate 184.7
    morpholine 512.18
    tert-butylamine 180.12
    n-dodecanol 59.17
    dimethoxymethane 311.05
    ethylene carbonate 270.38
    cyrene 206.72
    2-ethoxyethyl acetate 161.72
    2-ethylhexyl acetate 153.71
    1,2,4-trichlorobenzene 275.77
    4-methylpyridine 317.85
    dibutyl ether 119.4
    2,6-dimethyl-4-heptanol 79.54
    DEF 265.76
    dimethyl isosorbide 330.59
    tetrachloroethylene 390.47
    eugenol 175.72
    triacetin 216.52
    span 80 185.83
    1,4-butanediol 98.97
    1,1-dichloroethane 445.43
    2-methyl-1-pentanol 151.73
    methyl formate 226.42
    2-methyl-1-butanol 181.7
    n-decane 15.17
    butyronitrile 234.98
    3,7-dimethyl-1-octanol 119.27
    1-chlorooctane 77.44
    1-chlorotetradecane 31.26
    n-nonane 15.46
    undecane 11.48
    tert-butylcyclohexane 30.58
    cyclooctane 16.76
    cyclopentanol 246.07
    tetrahydropyran 442.4
    tert-amyl methyl ether 165.13
    2,5,8-trioxanonane 309.84
    1-hexene 147.83
    2-isopropoxyethanol 170.74
    2,2,2-trifluoroethanol 120.82
    methyl butyrate 217.99

    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