4-Chlorobenzaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    104-88-1

    Molecular formula
    C7H5ClO

    SMILES
    C1=CC(=CC=C1C=O)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 86.33%
    Almond 73.13%
    Cherry 71.61%
    Fruity 63.51%
    Bitter 63.45%
    Floral 57.86%
    Powdery 49.5%
    Phenolic 47.76%
    Hawthorn 45.82%
    Vanilla 42.95%

     

    Flavor
    Sweet 49.22%
    Almond 48.71%
    Cherry 46.96%
    Phenolic 43.24%
    Bitter 41.54%
    Cinnamon 32.01%
    Balsam 30.27%
    Hawthorn 28.29%
    Fruity 28.25%
    Medical 27.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.54 (weak acid)

    Molecular weight
    140.56 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 111 to 117 °F (NTP, 1992)

    Boiling point

    • 415 to 417 °F at 760 mmHg (NTP, 1992)

    Flash point

    • 92.81 ˚C est.
    • 190 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 67.1 °F (NTP, 1992)

  • Synonyms

    • 4-Chlorobenzaldehyde
    • 104-88-1
    • P-CHLOROBENZALDEHYDE
    • Benzaldehyde, 4-chloro-
    • Benzaldehyde, p-chloro-
    • p-Chlorobenzenecarboxaldehyde
    • 4-Chlorobenzenaldehyde
    • 4-chloro-benzaldehyde
    • PARA-CHLOROBENZALDEHYDE
    • 4-Chlorbenzaldehyd
    • 4-chloro benzaldehyde
    • CCRIS 857
    • NSC 2078
    • EINECS 203-247-4
    • MFCD00003379
    • parachlorobenzaldehyde
    • UNII-E67727UP9Z
    • DTXSID2021860
    • AI3-52280
    • E67727UP9Z
    • 4-chlorobenzoic aldehyde
    • NSC-2078
    • P-CHLOROPHENYLALDEHYDE
    • CHLOROBENZALDEHYDE, P-
    • 4-FORMYLPHENYL CHLORIDE
    • CHLOROBENZALDEHYDE, 4-
    • DTXCID501860
    • 1-CHLORO-4-FORMYLBENZENE
    • EC 203-247-4
    • PCAD
    • pChlorbenzaldehyd
    • 4Chlorbenzaldehyd
    • pChlorobenzaldehyde
    • 4-chlorobenzaldehye
    • 4-chlorobezaldehyde
    • 1Chlor4formylbenzol
    • 4-Chlorobenzaldehyd
    • 4Chlorobenzenaldehyde
    • 4-formylchlorobenzene
    • p-chloro benzaldehyde
    • p-chloro-benzaldehyde
    • rho-chlorobenzaldehyde
    • Benzaldehyde, pchloro
    • Benzaldehyde, 4chloro
    • pChlorobenzoic aldehyde
    • 4Chlorobenzoic aldehyde
    • p-chlorobenzoic aldehyde
    • (4-chlorophenyl)methanone
    • pChlorobenzenecarboxaldehyde
    • bmse001029
    • SCHEMBL1919
    • 4-Chlorobenzaldehyde, 97%
    • CHEMBL1474
    • (4-chloro-phenyl)-methanone
    • NSC2078
    • BCP25775
    • STR00145
    • Tox21_200136
    • STK200392
    • AKOS000118927
    • CS-W008778
    • FC59856
    • PS-9029
    • NCGC00091804-01
    • NCGC00091804-02
    • NCGC00091804-03
    • NCGC00257690-01
    • AC-11571
    • CAS-104-88-1
    • DB-023682
    • NS00003543
    • EN300-18419
    • C06648
    • D77694
    • doi:10.14272/AVPYQKSLYISFPO-UHFFFAOYSA-N.1
    • Q2154695
    • Z57772447
    • F2190-0600
    • p-Chlorobenzenecarboxaldehyde; 4-Chlorobenzoic aldehyde; PCAD
    • 203-247-4

  • Applications

    4-Chlorobenzaldehyde (CAS 104-88-1) is a versatile aryl aldehyde used as a building block and intermediate in industrial synthesis, including the manufacture of dyes and pigments, intermediates for pharmaceuticals and agrochemicals, precursors for polymers and coatings, and as a fragrance intermediate in perfumery; it is commonly employed in organic synthesis to enable further functionalization and may be used in formulation-specific fragrance applications, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 87.88
    methanol 83.63
    isopropanol 63.46
    water 1.16
    ethyl acetate 195.5
    n-propanol 83.48
    acetone 397.64
    n-butanol 70.4
    acetonitrile 246.45
    DMF 440.71
    toluene 94.94
    isobutanol 57.79
    1,4-dioxane 259.97
    methyl acetate 380.13
    THF 290.05
    2-butanone 375.69
    n-pentanol 76.15
    sec-butanol 88.53
    n-hexane 7.61
    ethylene glycol 37.04
    NMP 325.58
    cyclohexane 9.51
    DMSO 244.65
    n-butyl acetate 187.33
    n-octanol 63.4
    chloroform 371.06
    n-propyl acetate 224.63
    acetic acid 210.38
    dichloromethane 417.45
    cyclohexanone 267.76
    propylene glycol 41.57
    isopropyl acetate 128.28
    DMAc 435.21
    2-ethoxyethanol 164.37
    isopentanol 71.95
    n-heptane 13.81
    ethyl formate 155.75
    1,2-dichloroethane 289.5
    n-hexanol 78.97
    2-methoxyethanol 180.24
    isobutyl acetate 138.65
    tetrachloromethane 56.09
    n-pentyl acetate 120.23
    transcutol 960.13
    n-heptanol 56.0
    ethylbenzene 83.23
    MIBK 135.8
    2-propoxyethanol 155.56
    tert-butanol 104.66
    MTBE 129.58
    2-butoxyethanol 135.57
    propionic acid 164.49
    o-xylene 84.56
    formic acid 96.06
    diethyl ether 108.11
    m-xylene 72.17
    p-xylene 126.01
    chlorobenzene 144.43
    dimethyl carbonate 118.96
    n-octane 7.19
    formamide 241.35
    cyclopentanone 332.04
    2-pentanone 195.57
    anisole 225.96
    cyclopentyl methyl ether 118.49
    gamma-butyrolactone 367.43
    1-methoxy-2-propanol 136.42
    pyridine 367.85
    3-pentanone 169.44
    furfural 434.91
    n-dodecane 7.58
    diethylene glycol 123.57
    diisopropyl ether 44.14
    tert-amyl alcohol 113.18
    acetylacetone 282.12
    n-hexadecane 8.57
    acetophenone 243.79
    methyl propionate 176.47
    isopentyl acetate 167.37
    trichloroethylene 769.59
    n-nonanol 58.72
    cyclohexanol 67.79
    benzyl alcohol 146.59
    2-ethylhexanol 68.19
    isooctanol 54.72
    dipropyl ether 85.01
    1,2-dichlorobenzene 147.4
    ethyl lactate 97.67
    propylene carbonate 207.53
    n-methylformamide 234.22
    2-pentanol 61.69
    n-pentane 5.85
    1-propoxy-2-propanol 121.13
    1-methoxy-2-propyl acetate 172.78
    2-(2-methoxypropoxy) propanol 188.95
    mesitylene 49.4
    ε-caprolactone 233.22
    p-cymene 58.16
    epichlorohydrin 463.13
    1,1,1-trichloroethane 305.51
    2-aminoethanol 61.84
    morpholine-4-carbaldehyde 367.28
    sulfolane 317.77
    2,2,4-trimethylpentane 8.71
    2-methyltetrahydrofuran 227.33
    n-hexyl acetate 161.17
    isooctane 7.53
    2-(2-butoxyethoxy)ethanol 235.18
    sec-butyl acetate 145.75
    tert-butyl acetate 163.64
    decalin 12.84
    glycerin 74.37
    diglyme 506.34
    acrylic acid 185.98
    isopropyl myristate 72.88
    n-butyric acid 130.23
    acetyl acetate 153.63
    di(2-ethylhexyl) phthalate 63.53
    ethyl propionate 161.3
    nitromethane 595.61
    1,2-diethoxyethane 238.24
    benzonitrile 197.18
    trioctyl phosphate 44.21
    1-bromopropane 112.81
    gamma-valerolactone 391.86
    n-decanol 46.1
    triethyl phosphate 78.77
    4-methyl-2-pentanol 49.22
    propionitrile 162.41
    vinylene carbonate 218.57
    1,1,2-trichlorotrifluoroethane 352.93
    DMS 183.62
    cumene 59.2
    2-octanol 45.61
    2-hexanone 239.59
    octyl acetate 83.6
    limonene 71.57
    1,2-dimethoxyethane 342.91
    ethyl orthosilicate 71.06
    tributyl phosphate 59.82
    diacetone alcohol 191.02
    N,N-dimethylaniline 148.9
    acrylonitrile 272.08
    aniline 120.44
    1,3-propanediol 79.05
    bromobenzene 136.27
    dibromomethane 207.89
    1,1,2,2-tetrachloroethane 416.06
    2-methyl-cyclohexyl acetate 123.48
    tetrabutyl urea 87.03
    diisobutyl methanol 51.56
    2-phenylethanol 129.52
    styrene 110.73
    dioctyl adipate 111.22
    dimethyl sulfate 177.37
    ethyl butyrate 151.19
    methyl lactate 99.26
    butyl lactate 100.34
    diethyl carbonate 112.25
    propanediol butyl ether 145.04
    triethyl orthoformate 103.1
    p-tert-butyltoluene 52.64
    methyl 4-tert-butylbenzoate 161.55
    morpholine 245.21
    tert-butylamine 60.16
    n-dodecanol 36.94
    dimethoxymethane 189.85
    ethylene carbonate 138.52
    cyrene 179.18
    2-ethoxyethyl acetate 214.55
    2-ethylhexyl acetate 134.67
    1,2,4-trichlorobenzene 199.67
    4-methylpyridine 291.69
    dibutyl ether 95.94
    2,6-dimethyl-4-heptanol 51.56
    DEF 205.56
    dimethyl isosorbide 298.28
    tetrachloroethylene 277.84
    eugenol 174.93
    triacetin 225.92
    span 80 128.89
    1,4-butanediol 46.65
    1,1-dichloroethane 274.89
    2-methyl-1-pentanol 81.65
    methyl formate 226.45
    2-methyl-1-butanol 68.4
    n-decane 11.44
    butyronitrile 121.95
    3,7-dimethyl-1-octanol 71.91
    1-chlorooctane 49.51
    1-chlorotetradecane 22.65
    n-nonane 10.63
    undecane 9.13
    tert-butylcyclohexane 13.92
    cyclooctane 4.49
    cyclopentanol 82.49
    tetrahydropyran 176.0
    tert-amyl methyl ether 104.91
    2,5,8-trioxanonane 340.96
    1-hexene 46.26
    2-isopropoxyethanol 138.58
    2,2,2-trifluoroethanol 118.36
    methyl butyrate 222.16

    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