Isopropylphenylbutanal

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  • Identifiers

    CAS number
    125109-85-5

    Molecular formula
    C13H18O

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Green 94.62%
    Floral 75.64%
    Fresh 58.16%
    Aldehydic 51.33%
    Leafy 48.16%
    Muguet 47.9%
    Lily 46.12%
    Cortex 44.41%
    Herbal 40.16%
    Woody 37.55%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point est.
    117.74 ˚C

  • Synonyms

    • Isopropylphenylbutanal
    • 125109-85-5
    • FlorhydralR
    • Florhydral
    • 3-(3-Isopropylphenyl)butanal
    • 3-(3-propan-2-ylphenyl)butanal
    • Benzenepropanal, .beta.-methyl-3-(1-methylethyl)-
    • beta-Methyl-3-(1-methylethyl)benzenepropanal
    • UNII-Z92022479Y
    • Butanal, 3-(3-(1-methylethyl)phenyl)-
    • DTXSID7051632
    • Z92022479Y
    • EC 412-050-4
    • Benzenepropanal, beta-methyl-3-(1-methylethyl)-
    • (+/-)-ISOPROPYLPHENYLBUTANAL
    • ISOPROPYLPHENYLBUTANAL, (+/-)-
    • (S)--Methyl-3-(1-methylethyl)benzenepropanal
    • .BETA.-METHYL-3-(1-METHYLETHYL)BENZENEPROPANAL
    • floral butanal
    • (R)--Methyl-3-(1-methylethyl)benzenepropanal
    • SCHEMBL180401
    • DTXCID8030184
    • ISOPROPYLPHENYLBUTANAL [INCI]
    • 3-[3-(1-methylethyl)phenyl]butanal
    • FF23310
    • DB-251797
    • CS-0443228
    • NS00009732
    • Q27295162
    • b-Methyl-3-(1-methylethyl)benzenepropanal;3-(3-Isopropylphenyl)butanal
    • 412-050-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1603.04
    methanol 910.89
    isopropanol 1346.55
    water 0.2
    ethyl acetate 1861.48
    n-propanol 1500.41
    acetone 2484.2
    n-butanol 1139.12
    acetonitrile 2310.2
    DMF 2007.86
    toluene 807.01
    isobutanol 908.78
    1,4-dioxane 2644.89
    methyl acetate 1813.8
    THF 2509.72
    2-butanone 2136.51
    n-pentanol 668.24
    sec-butanol 910.64
    n-hexane 168.85
    ethylene glycol 96.85
    NMP 1075.73
    cyclohexane 235.57
    DMSO 1263.53
    n-butyl acetate 1268.02
    n-octanol 239.29
    chloroform 3583.11
    n-propyl acetate 957.84
    acetic acid 537.9
    dichloromethane 3900.36
    cyclohexanone 2259.52
    propylene glycol 245.01
    isopropyl acetate 849.7
    DMAc 987.36
    2-ethoxyethanol 655.74
    isopentanol 763.48
    n-heptane 84.29
    ethyl formate 1034.02
    1,2-dichloroethane 2668.34
    n-hexanol 923.16
    2-methoxyethanol 1135.22
    isobutyl acetate 520.61
    tetrachloromethane 472.31
    n-pentyl acetate 411.74
    transcutol 1717.63
    n-heptanol 256.23
    ethylbenzene 411.57
    MIBK 644.98
    2-propoxyethanol 1059.93
    tert-butanol 1141.31
    MTBE 1256.1
    2-butoxyethanol 413.37
    propionic acid 747.69
    o-xylene 369.96
    formic acid 93.28
    diethyl ether 1773.52
    m-xylene 449.67
    p-xylene 464.21
    chlorobenzene 986.24
    dimethyl carbonate 331.84
    n-octane 37.17
    formamide 245.32
    cyclopentanone 2244.28
    2-pentanone 1523.36
    anisole 720.62
    cyclopentyl methyl ether 1146.61
    gamma-butyrolactone 2050.38
    1-methoxy-2-propanol 859.52
    pyridine 1968.99
    3-pentanone 1076.4
    furfural 1224.6
    n-dodecane 25.02
    diethylene glycol 434.35
    diisopropyl ether 332.36
    tert-amyl alcohol 742.98
    acetylacetone 1032.56
    n-hexadecane 30.17
    acetophenone 540.8
    methyl propionate 1202.53
    isopentyl acetate 929.49
    trichloroethylene 3797.02
    n-nonanol 203.18
    cyclohexanol 827.2
    benzyl alcohol 491.91
    2-ethylhexanol 423.9
    isooctanol 207.86
    dipropyl ether 707.12
    1,2-dichlorobenzene 686.99
    ethyl lactate 251.86
    propylene carbonate 1038.19
    n-methylformamide 964.45
    2-pentanol 664.25
    n-pentane 117.59
    1-propoxy-2-propanol 759.82
    1-methoxy-2-propyl acetate 805.74
    2-(2-methoxypropoxy) propanol 325.27
    mesitylene 235.82
    ε-caprolactone 1529.11
    p-cymene 194.24
    epichlorohydrin 2540.03
    1,1,1-trichloroethane 2023.19
    2-aminoethanol 328.22
    morpholine-4-carbaldehyde 1191.26
    sulfolane 1463.21
    2,2,4-trimethylpentane 48.06
    2-methyltetrahydrofuran 2002.82
    n-hexyl acetate 552.49
    isooctane 44.17
    2-(2-butoxyethoxy)ethanol 499.41
    sec-butyl acetate 536.15
    tert-butyl acetate 676.55
    decalin 97.52
    glycerin 194.2
    diglyme 1042.04
    acrylic acid 453.22
    isopropyl myristate 198.76
    n-butyric acid 1139.5
    acetyl acetate 632.17
    di(2-ethylhexyl) phthalate 162.62
    ethyl propionate 753.49
    nitromethane 1311.44
    1,2-diethoxyethane 900.05
    benzonitrile 785.84
    trioctyl phosphate 123.72
    1-bromopropane 1567.52
    gamma-valerolactone 2159.89
    n-decanol 154.73
    triethyl phosphate 203.3
    4-methyl-2-pentanol 303.19
    propionitrile 1687.42
    vinylene carbonate 873.84
    1,1,2-trichlorotrifluoroethane 906.81
    DMS 421.42
    cumene 236.12
    2-octanol 183.38
    2-hexanone 989.41
    octyl acetate 255.29
    limonene 292.85
    1,2-dimethoxyethane 1488.98
    ethyl orthosilicate 202.35
    tributyl phosphate 162.92
    diacetone alcohol 613.21
    N,N-dimethylaniline 360.24
    acrylonitrile 1608.9
    aniline 802.66
    1,3-propanediol 536.63
    bromobenzene 1006.65
    dibromomethane 2578.55
    1,1,2,2-tetrachloroethane 2596.76
    2-methyl-cyclohexyl acetate 394.65
    tetrabutyl urea 199.94
    diisobutyl methanol 217.3
    2-phenylethanol 479.48
    styrene 538.35
    dioctyl adipate 273.75
    dimethyl sulfate 385.87
    ethyl butyrate 726.49
    methyl lactate 293.86
    butyl lactate 285.95
    diethyl carbonate 413.32
    propanediol butyl ether 330.99
    triethyl orthoformate 372.76
    p-tert-butyltoluene 179.42
    methyl 4-tert-butylbenzoate 343.93
    morpholine 2948.42
    tert-butylamine 730.95
    n-dodecanol 117.41
    dimethoxymethane 1126.36
    ethylene carbonate 840.91
    cyrene 323.83
    2-ethoxyethyl acetate 559.28
    2-ethylhexyl acetate 679.05
    1,2,4-trichlorobenzene 748.23
    4-methylpyridine 1826.28
    dibutyl ether 450.19
    2,6-dimethyl-4-heptanol 217.3
    DEF 1328.7
    dimethyl isosorbide 621.19
    tetrachloroethylene 1517.02
    eugenol 315.66
    triacetin 407.73
    span 80 294.69
    1,4-butanediol 192.73
    1,1-dichloroethane 2861.68
    2-methyl-1-pentanol 487.23
    methyl formate 694.03
    2-methyl-1-butanol 709.06
    n-decane 48.5
    butyronitrile 1618.81
    3,7-dimethyl-1-octanol 237.65
    1-chlorooctane 231.45
    1-chlorotetradecane 80.09
    n-nonane 49.72
    undecane 33.67
    tert-butylcyclohexane 93.21
    cyclooctane 64.36
    cyclopentanol 822.12
    tetrahydropyran 2730.5
    tert-amyl methyl ether 652.35
    2,5,8-trioxanonane 594.5
    1-hexene 774.64
    2-isopropoxyethanol 469.83
    2,2,2-trifluoroethanol 158.12
    methyl butyrate 1157.36

    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