3-(3-Chlorophenyl)propionaldehyde

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  • Identifiers

    CAS number
    136415-83-3

    Molecular formula
    C9H9ClO

    SMILES
    C1=CC(=CC(=C1)Cl)CCC=O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 83.4%
    Sweet 53.69%
    Green 49.03%
    Fresh 42.28%
    Fruity 40.3%
    Honey 39.74%
    Aldehydic 38.94%
    Lily 38.54%
    Hyacinth 37.34%
    Rose 37.27%

     

    Flavor
    Sweet 50.55%
    Floral 43.53%
    Green 40.0%
    Spicy 39.71%
    Cinnamon 35.66%
    Bitter 34.06%
    Fresh 31.83%
    Balsam 31.16%
    Fruity 29.29%
    Spice 29.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.28 (neutral)

    Molecular weight
    168.62 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 107.41 ˚C est.

  • Synonyms

    • 136415-83-3
    • 3-(3-chlorophenyl)propanal
    • 3-(3-CHLOROPHENYL)PROPIONALDEHYDE
    • BENZENEPROPANAL, 3-CHLORO-
    • 3-(3-Chloro-phenyl)-propionaldehyde
    • DTXSID50439543
    • MFCD07772911
    • SCHEMBL67484
    • 2-(3-Chlorobenzyl)acetaldehyde
    • DTXCID30390365
    • GAMNINPBAOTMLA-UHFFFAOYSA-N
    • AB6892
    • AKOS011896099
    • AB42275
    • 3-(3-Chlorophenyl)propionaldehyde, 95%
    • AS-85620
    • FC170464
    • DB-063140
    • EN300-1231539
    • Z993017744

  • Applications

    3-(3-Chlorophenyl)propionaldehyde (CAS 136415-83-3) is primarily used as an aromatic aldehyde intermediate in fragrance chemistry, serving as a precursor for substituted phenylpropyl aroma compounds used in perfumery and cosmetics. It is also evaluated as a building block for pharmaceutical and agrochemical intermediates. In industrial manufacturing it functions as a reactive starting material for the synthesis of specialty chemicals, and as a functional building block in polymer and coating formulations for subsequent chemical modifications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 539.49
    methanol 540.34
    isopropanol 293.4
    water 0.49
    ethyl acetate 1054.15
    n-propanol 364.41
    acetone 2382.04
    n-butanol 301.8
    acetonitrile 1111.4
    DMF 1992.71
    toluene 637.51
    isobutanol 234.5
    1,4-dioxane 1242.61
    methyl acetate 1260.29
    THF 1531.99
    2-butanone 1537.99
    n-pentanol 261.84
    sec-butanol 291.45
    n-hexane 28.09
    ethylene glycol 157.57
    NMP 1636.2
    cyclohexane 37.2
    DMSO 3460.93
    n-butyl acetate 717.02
    n-octanol 129.61
    chloroform 1895.19
    n-propyl acetate 664.43
    acetic acid 599.37
    dichloromethane 2707.57
    cyclohexanone 1441.3
    propylene glycol 159.83
    isopropyl acetate 435.73
    DMAc 1298.45
    2-ethoxyethanol 593.21
    isopentanol 278.99
    n-heptane 28.09
    ethyl formate 648.97
    1,2-dichloroethane 2080.63
    n-hexanol 271.14
    2-methoxyethanol 847.32
    isobutyl acetate 312.59
    tetrachloromethane 224.62
    n-pentyl acetate 298.19
    transcutol 3237.63
    n-heptanol 110.22
    ethylbenzene 289.31
    MIBK 392.69
    2-propoxyethanol 532.21
    tert-butanol 354.57
    MTBE 455.81
    2-butoxyethanol 295.68
    propionic acid 466.2
    o-xylene 340.39
    formic acid 246.1
    diethyl ether 539.69
    m-xylene 326.89
    p-xylene 327.58
    chlorobenzene 800.39
    dimethyl carbonate 413.22
    n-octane 8.68
    formamide 730.15
    cyclopentanone 1996.72
    2-pentanone 969.27
    anisole 698.18
    cyclopentyl methyl ether 667.24
    gamma-butyrolactone 2003.64
    1-methoxy-2-propanol 548.41
    pyridine 1528.08
    3-pentanone 739.53
    furfural 1792.33
    n-dodecane 7.36
    diethylene glycol 458.3
    diisopropyl ether 126.9
    tert-amyl alcohol 328.48
    acetylacetone 1189.16
    n-hexadecane 8.87
    acetophenone 682.97
    methyl propionate 878.17
    isopentyl acetate 531.16
    trichloroethylene 3966.43
    n-nonanol 106.44
    cyclohexanol 333.85
    benzyl alcohol 466.44
    2-ethylhexanol 192.03
    isooctanol 96.86
    dipropyl ether 262.47
    1,2-dichlorobenzene 686.08
    ethyl lactate 218.73
    propylene carbonate 923.12
    n-methylformamide 1114.71
    2-pentanol 212.79
    n-pentane 19.23
    1-propoxy-2-propanol 382.31
    1-methoxy-2-propyl acetate 592.3
    2-(2-methoxypropoxy) propanol 387.21
    mesitylene 158.46
    ε-caprolactone 1090.69
    p-cymene 131.9
    epichlorohydrin 2542.41
    1,1,1-trichloroethane 1335.27
    2-aminoethanol 256.59
    morpholine-4-carbaldehyde 1479.96
    sulfolane 2250.96
    2,2,4-trimethylpentane 19.4
    2-methyltetrahydrofuran 1242.81
    n-hexyl acetate 420.43
    isooctane 13.61
    2-(2-butoxyethoxy)ethanol 567.17
    sec-butyl acetate 366.2
    tert-butyl acetate 453.57
    decalin 36.99
    glycerin 234.4
    diglyme 1243.38
    acrylic acid 472.9
    isopropyl myristate 134.87
    n-butyric acid 501.58
    acetyl acetate 548.37
    di(2-ethylhexyl) phthalate 139.76
    ethyl propionate 502.8
    nitromethane 2178.36
    1,2-diethoxyethane 790.37
    benzonitrile 694.59
    trioctyl phosphate 88.58
    1-bromopropane 616.24
    gamma-valerolactone 1998.0
    n-decanol 79.82
    triethyl phosphate 181.79
    4-methyl-2-pentanol 122.2
    propionitrile 546.98
    vinylene carbonate 792.14
    1,1,2-trichlorotrifluoroethane 1109.83
    DMS 521.87
    cumene 151.99
    2-octanol 81.89
    2-hexanone 710.26
    octyl acetate 175.36
    limonene 194.19
    1,2-dimethoxyethane 1082.21
    ethyl orthosilicate 168.5
    tributyl phosphate 140.09
    diacetone alcohol 541.08
    N,N-dimethylaniline 378.27
    acrylonitrile 897.83
    aniline 665.24
    1,3-propanediol 346.91
    bromobenzene 858.5
    dibromomethane 1455.59
    1,1,2,2-tetrachloroethane 2264.27
    2-methyl-cyclohexyl acetate 294.65
    tetrabutyl urea 188.23
    diisobutyl methanol 110.53
    2-phenylethanol 372.35
    styrene 419.98
    dioctyl adipate 230.5
    dimethyl sulfate 718.51
    ethyl butyrate 433.44
    methyl lactate 305.7
    butyl lactate 253.77
    diethyl carbonate 290.15
    propanediol butyl ether 367.56
    triethyl orthoformate 253.7
    p-tert-butyltoluene 122.33
    methyl 4-tert-butylbenzoate 326.26
    morpholine 1406.23
    tert-butylamine 189.04
    n-dodecanol 60.94
    dimethoxymethane 934.55
    ethylene carbonate 600.93
    cyrene 376.04
    2-ethoxyethyl acetate 568.19
    2-ethylhexyl acetate 422.32
    1,2,4-trichlorobenzene 800.91
    4-methylpyridine 1534.47
    dibutyl ether 238.18
    2,6-dimethyl-4-heptanol 110.53
    DEF 969.15
    dimethyl isosorbide 676.55
    tetrachloroethylene 1387.06
    eugenol 334.59
    triacetin 475.46
    span 80 271.99
    1,4-butanediol 168.01
    1,1-dichloroethane 1530.48
    2-methyl-1-pentanol 259.47
    methyl formate 909.98
    2-methyl-1-butanol 266.49
    n-decane 12.84
    butyronitrile 497.97
    3,7-dimethyl-1-octanol 160.29
    1-chlorooctane 100.0
    1-chlorotetradecane 35.75
    n-nonane 12.32
    undecane 9.4
    tert-butylcyclohexane 36.12
    cyclooctane 14.37
    cyclopentanol 372.49
    tetrahydropyran 1022.86
    tert-amyl methyl ether 353.64
    2,5,8-trioxanonane 694.16
    1-hexene 163.9
    2-isopropoxyethanol 398.18
    2,2,2-trifluoroethanol 256.34
    methyl butyrate 725.8

    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