3-(3-tert-Butylphenyl)-2-methylpropanal

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  • Identifiers

    CAS number
    62518-65-4

    Molecular formula
    C14H20O

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 90.83%
    Green 70.08%
    Lily 64.05%
    Muguet 62.14%
    Fresh 59.7%
    Aldehydic 57.51%
    Ozone 46.05%
    Woody 38.7%
    Melon 33.07%
    Rose 32.86%

     

    Flavor
    Green 65.83%
    Floral 61.75%
    Herbal 40.61%
    Fresh 39.25%
    Woody 34.04%
    Leaf 30.6%
    Spicy 30.57%
    Citrus 30.39%
    Fruity 28.36%
    Musty 28.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.73 (neutral)

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 125.76 ˚C est.

  • Synonyms

    • 3-(3-tert-Butylphenyl)-2-methylpropanal
    • 62518-65-4
    • 3-(m-tert-Butylphenyl)-2-methylpropionaldehyde
    • UGB2D7505H
    • Benzenepropanal, 3-(1,1-dimethylethyl)-.alpha.-methyl-
    • EINECS 263-580-6
    • Benzenepropanal, 3-(1,1-dimethylethyl)-alpha-methyl-
    • DTXSID8052304
    • EC 263-580-6
    • 3-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYLBENZENEPROPANAL
    • RefChem:492216
    • DTXCID5030876
    • 3(3tertButylphenyl)2methylpropanal
    • Benzenepropanal, 3(1,1dimethylethyl)alphamethyl
    • 3-(1,1-DIMETHYLETHYL)-ALPHA-METHYLBENZENEPROPANAL
    • 263-580-6
    • UNII-UGB2D7505H
    • SCHEMBL779665
    • SCHEMBL30600480
    • DB-365655
    • 3-(3-tert-Butylphenyl)-2-methylpropanal #
    • NS00012064
    • 3-(3-tert-butylphenyl)-2-methylpropan-1-al
    • Q27291068
    • Benzenepropanl, 3-[1,1-dimethylethyl]-.alpha.-methyl-
    • 62518-65-4

  • Applications

    Chemical name: 3-(3-tert-Butylphenyl)-2-methylpropanal; CAS number: 62518-65-4 is an aldehyde commonly used as a fragrance ingredient and aromatic intermediate. In perfumery, it contributes a warm, woody note and is often used as a building block for complex aroma blends. In cosmetics and personal care formulations, it can serve as an odor-active component. In household products, it can provide scent in cleaners and air fresheners. In industrial manufacturing, it may function as a fragrance intermediate or fixative in scent formulations, and it can be explored as a precursor for polymer/plastics scent additives or coatings where odor control is relevant. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 704.94
    methanol 595.3
    isopropanol 665.86
    water 0.62
    ethyl acetate 1545.67
    n-propanol 735.74
    acetone 1261.37
    n-butanol 729.65
    acetonitrile 926.18
    DMF 1571.12
    toluene 712.72
    isobutanol 588.47
    1,4-dioxane 1522.67
    methyl acetate 1306.78
    THF 1890.06
    2-butanone 1322.48
    n-pentanol 553.5
    sec-butanol 603.43
    n-hexane 369.81
    ethylene glycol 112.69
    NMP 863.23
    cyclohexane 294.47
    DMSO 518.49
    n-butyl acetate 1253.65
    n-octanol 320.03
    chloroform 2353.28
    n-propyl acetate 857.26
    acetic acid 459.6
    dichloromethane 1710.36
    cyclohexanone 1378.35
    propylene glycol 230.29
    isopropyl acetate 1155.37
    DMAc 1282.13
    2-ethoxyethanol 662.16
    isopentanol 738.47
    n-heptane 129.74
    ethyl formate 679.66
    1,2-dichloroethane 1508.76
    n-hexanol 954.93
    2-methoxyethanol 891.3
    isobutyl acetate 704.25
    tetrachloromethane 438.51
    n-pentyl acetate 481.94
    transcutol 2026.96
    n-heptanol 349.93
    ethylbenzene 515.54
    MIBK 874.19
    2-propoxyethanol 1213.87
    tert-butanol 988.15
    MTBE 1570.02
    2-butoxyethanol 577.42
    propionic acid 545.35
    o-xylene 478.47
    formic acid 124.67
    diethyl ether 1493.71
    m-xylene 542.41
    p-xylene 608.11
    chlorobenzene 836.72
    dimethyl carbonate 492.11
    n-octane 62.17
    formamide 210.85
    cyclopentanone 1422.99
    2-pentanone 1247.71
    anisole 895.69
    cyclopentyl methyl ether 1120.38
    gamma-butyrolactone 1307.14
    1-methoxy-2-propanol 870.55
    pyridine 962.49
    3-pentanone 1018.79
    furfural 1068.84
    n-dodecane 37.65
    diethylene glycol 594.47
    diisopropyl ether 561.58
    tert-amyl alcohol 767.91
    acetylacetone 1106.8
    n-hexadecane 43.75
    acetophenone 673.32
    methyl propionate 1088.2
    isopentyl acetate 1164.4
    trichloroethylene 2477.11
    n-nonanol 283.53
    cyclohexanol 638.26
    benzyl alcohol 515.88
    2-ethylhexanol 554.76
    isooctanol 309.61
    dipropyl ether 746.13
    1,2-dichlorobenzene 753.42
    ethyl lactate 368.0
    propylene carbonate 940.41
    n-methylformamide 597.75
    2-pentanol 615.21
    n-pentane 206.06
    1-propoxy-2-propanol 915.96
    1-methoxy-2-propyl acetate 1130.6
    2-(2-methoxypropoxy) propanol 485.71
    mesitylene 381.91
    ε-caprolactone 1170.89
    p-cymene 271.28
    epichlorohydrin 1762.43
    1,1,1-trichloroethane 1747.05
    2-aminoethanol 294.78
    morpholine-4-carbaldehyde 1248.28
    sulfolane 1065.66
    2,2,4-trimethylpentane 109.24
    2-methyltetrahydrofuran 1400.69
    n-hexyl acetate 724.2
    isooctane 108.56
    2-(2-butoxyethoxy)ethanol 711.94
    sec-butyl acetate 764.7
    tert-butyl acetate 1192.38
    decalin 172.73
    glycerin 267.99
    diglyme 1289.66
    acrylic acid 406.61
    isopropyl myristate 293.7
    n-butyric acid 967.94
    acetyl acetate 799.95
    di(2-ethylhexyl) phthalate 226.58
    ethyl propionate 822.71
    nitromethane 890.01
    1,2-diethoxyethane 976.87
    benzonitrile 642.23
    trioctyl phosphate 169.22
    1-bromopropane 1075.25
    gamma-valerolactone 1644.81
    n-decanol 217.06
    triethyl phosphate 294.72
    4-methyl-2-pentanol 466.57
    propionitrile 890.51
    vinylene carbonate 814.45
    1,1,2-trichlorotrifluoroethane 973.96
    DMS 643.19
    cumene 364.85
    2-octanol 234.97
    2-hexanone 855.1
    octyl acetate 345.15
    limonene 380.13
    1,2-dimethoxyethane 1367.2
    ethyl orthosilicate 314.73
    tributyl phosphate 238.35
    diacetone alcohol 892.41
    N,N-dimethylaniline 576.6
    acrylonitrile 855.23
    aniline 661.16
    1,3-propanediol 416.61
    bromobenzene 917.93
    dibromomethane 1232.24
    1,1,2,2-tetrachloroethane 2160.86
    2-methyl-cyclohexyl acetate 542.07
    tetrabutyl urea 264.55
    diisobutyl methanol 326.02
    2-phenylethanol 607.99
    styrene 579.05
    dioctyl adipate 351.85
    dimethyl sulfate 533.16
    ethyl butyrate 793.45
    methyl lactate 436.0
    butyl lactate 380.46
    diethyl carbonate 485.0
    propanediol butyl ether 438.71
    triethyl orthoformate 493.86
    p-tert-butyltoluene 289.33
    methyl 4-tert-butylbenzoate 490.16
    morpholine 1566.03
    tert-butylamine 748.43
    n-dodecanol 165.89
    dimethoxymethane 1040.48
    ethylene carbonate 743.05
    cyrene 430.82
    2-ethoxyethyl acetate 652.11
    2-ethylhexyl acetate 880.68
    1,2,4-trichlorobenzene 839.03
    4-methylpyridine 1229.07
    dibutyl ether 546.8
    2,6-dimethyl-4-heptanol 326.02
    DEF 1252.55
    dimethyl isosorbide 802.86
    tetrachloroethylene 1267.88
    eugenol 454.88
    triacetin 563.14
    span 80 407.49
    1,4-butanediol 224.71
    1,1-dichloroethane 1776.05
    2-methyl-1-pentanol 547.08
    methyl formate 501.92
    2-methyl-1-butanol 621.47
    n-decane 70.6
    butyronitrile 953.63
    3,7-dimethyl-1-octanol 372.35
    1-chlorooctane 298.45
    1-chlorotetradecane 108.92
    n-nonane 75.35
    undecane 49.42
    tert-butylcyclohexane 185.2
    cyclooctane 109.91
    cyclopentanol 521.82
    tetrahydropyran 1553.07
    tert-amyl methyl ether 1030.54
    2,5,8-trioxanonane 729.24
    1-hexene 874.77
    2-isopropoxyethanol 595.75
    2,2,2-trifluoroethanol 215.22
    methyl butyrate 990.93

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.0086 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.37 %
Category 2
Products applied to the axillae
 0.094 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.37 %
Category 3
Products applied to the face/body using fingertips
 0.21 % Category 8
Products with significant anogenital exposure
 0.094 %
Category 4
Products related to fine fragrance
 1.8 % Category 9
Products with body and hand exposure, primarily rinse off
 0.96 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.45 % Category 10A
Household care products with mostly hand contact
 0.96 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.28 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3.1 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.42 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.094 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.094 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.094 %
Category 6
Products with oral and lip exposure
 0.0086 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 64 %