5-Chloro-salicylaldehyde

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  • Identifiers

    CAS number
    635-93-8

    Molecular formula
    C7H5ClO2

    SMILES
    C1=CC(=C(C=C1Cl)C=O)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 61.16%
    Phenolic 59.96%
    Bitter 50.5%
    Almond 49.74%
    Vanilla 47.0%
    Spicy 46.83%
    Medicinal 39.99%
    Cherry 37.56%
    Burnt 37.55%
    Fruity 33.83%

     

    Flavor
    Bitter 65.83%
    Phenolic 38.31%
    Mild 33.8%
    Odorless 27.91%
    Almond 26.46%
    Medical 24.37%
    Nutty 23.6%
    Almond shell 22.36%
    Curry 21.98%
    Nitrile 21.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.01 (weak base)

    Molecular weight
    156.56 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    229°C

    Flash point

    • 111.31 ˚C est.

  • Synonyms

    • 5-chloro-salicylaldehyde
    • RefChem:102402
    • 5-Chlorosalicylaldehyde
    • 5-Chloro-2-hydroxybenzaldehyde
    • 635-93-8
    • 2-Hydroxy-5-chlorobenzaldehyde
    • Benzaldehyde, 5-chloro-2-hydroxy-
    • 4-Chloro-2-formylphenol
    • MFCD00003331
    • SALICYLALDEHYDE, 5-CHLORO-
    • 5-chloro-2-hydroxy-benzaldehyde
    • 4GCC8ZKM3O
    • 3-chloro-6-hydroxybenzaldehyde
    • 5-chloro-2-hydroxy benzaldehyde
    • NSC-3811
    • NSC 3811
    • EINECS 211-244-4
    • UNII-4GCC8ZKM3O
    • BRN 0636632
    • AI3-52302
    • 5-Chlorosalicyaldehyde
    • 5-chloro salicylaldehyde
    • 4-08-00-00224 (Beilstein Handbook Reference)
    • 5-Chloro2-Hydroxybenzaldehyde
    • SCHEMBL247839
    • SCHEMBL692623
    • 5-Chlorosalicylaldehyde, 98%
    • SCHEMBL5163990
    • 2-hydroxy-5-chloro-benzaldehyde
    • 5-chloro,2-hydroxy benzaldehyde
    • CHEMBL3660361
    • DTXSID7022099
    • SCHEMBL29694515
    • NSC3811
    • BDBM111028
    • benzaldehyde, 3-chloro-6-hydroxy-
    • STR01596
    • AC7515
    • SBB004013
    • STK199255
    • AKOS000112410
    • AB00314
    • AC-2944
    • CS-W007438
    • EBC-433059
    • FC11035
    • PS-3485
    • NCGC00340461-01
    • BP-13319
    • ST088544
    • SY003396
    • DB-013447
    • NS00035503
    • EN300-18277
    • 35C938
    • AB01333427-02
    • F061448
    • A1-00321
    • US8614253, .3-59
    • Q27259564
    • Z57772439
    • F2191-0153
    • InChI=1/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10
    • 635-93-8

  • Applications

    5-Chloro-salicylaldehyde (CAS 635-93-8) is principally used as an organic intermediate in the synthesis of heterocyclic compounds and Schiff bases, as a ligand/precursor for metal complexes, and as a building block for dyes and pigments used in specialty coatings and inks. It is also employed as a key precursor in pharmaceutical and agrochemical manufacturing to construct intermediates for active ingredients or performance materials. In polymer chemistry, it can serve as a monomer or crosslinking precursor for certain resins. In fragrance applications, salicylaldehyde derivatives are used as fragrance precursors, and the 5-chloro variant may be evaluated for such use. Its application is typically at the research or process development stage and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.24
    methanol 79.14
    isopropanol 52.87
    water 1.32
    ethyl acetate 74.78
    n-propanol 63.56
    acetone 84.46
    n-butanol 46.62
    acetonitrile 60.07
    DMF 173.97
    toluene 15.48
    isobutanol 39.38
    1,4-dioxane 108.82
    methyl acetate 120.64
    THF 247.8
    2-butanone 112.23
    n-pentanol 52.55
    sec-butanol 59.68
    n-hexane 1.12
    ethylene glycol 34.98
    NMP 79.88
    cyclohexane 0.76
    DMSO 96.84
    n-butyl acetate 57.69
    n-octanol 34.92
    chloroform 29.31
    n-propyl acetate 71.84
    acetic acid 45.59
    dichloromethane 29.58
    cyclohexanone 54.51
    propylene glycol 25.6
    isopropyl acetate 53.22
    DMAc 243.07
    2-ethoxyethanol 136.05
    isopentanol 51.96
    n-heptane 3.52
    ethyl formate 45.48
    1,2-dichloroethane 31.93
    n-hexanol 53.12
    2-methoxyethanol 153.67
    isobutyl acetate 44.98
    tetrachloromethane 7.61
    n-pentyl acetate 38.17
    transcutol 348.94
    n-heptanol 33.81
    ethylbenzene 18.79
    MIBK 59.63
    2-propoxyethanol 113.31
    tert-butanol 105.94
    MTBE 75.87
    2-butoxyethanol 79.0
    propionic acid 44.45
    o-xylene 19.35
    formic acid 40.5
    diethyl ether 48.64
    m-xylene 18.98
    p-xylene 24.44
    chlorobenzene 14.61
    dimethyl carbonate 48.43
    n-octane 1.98
    formamide 98.5
    cyclopentanone 85.23
    2-pentanone 66.25
    anisole 78.72
    cyclopentyl methyl ether 57.81
    gamma-butyrolactone 100.67
    1-methoxy-2-propanol 114.1
    pyridine 51.72
    3-pentanone 51.67
    furfural 96.11
    n-dodecane 2.58
    diethylene glycol 105.84
    diisopropyl ether 19.76
    tert-amyl alcohol 98.32
    acetylacetone 88.72
    n-hexadecane 2.85
    acetophenone 65.69
    methyl propionate 67.86
    isopentyl acetate 54.66
    trichloroethylene 65.66
    n-nonanol 31.66
    cyclohexanol 28.14
    benzyl alcohol 51.05
    2-ethylhexanol 37.73
    isooctanol 29.79
    dipropyl ether 36.81
    1,2-dichlorobenzene 18.7
    ethyl lactate 43.39
    propylene carbonate 52.68
    n-methylformamide 88.22
    2-pentanol 41.66
    n-pentane 0.94
    1-propoxy-2-propanol 76.98
    1-methoxy-2-propyl acetate 74.97
    2-(2-methoxypropoxy) propanol 90.14
    mesitylene 13.8
    ε-caprolactone 63.75
    p-cymene 18.05
    epichlorohydrin 134.37
    1,1,1-trichloroethane 35.29
    2-aminoethanol 52.13
    morpholine-4-carbaldehyde 132.93
    sulfolane 92.33
    2,2,4-trimethylpentane 2.63
    2-methyltetrahydrofuran 108.8
    n-hexyl acetate 52.76
    isooctane 2.45
    2-(2-butoxyethoxy)ethanol 116.28
    sec-butyl acetate 54.66
    tert-butyl acetate 77.27
    decalin 2.69
    glycerin 45.79
    diglyme 211.62
    acrylic acid 39.23
    isopropyl myristate 27.31
    n-butyric acid 43.26
    acetyl acetate 42.71
    di(2-ethylhexyl) phthalate 24.87
    ethyl propionate 58.28
    nitromethane 130.44
    1,2-diethoxyethane 84.65
    benzonitrile 40.03
    trioctyl phosphate 20.1
    1-bromopropane 15.43
    gamma-valerolactone 111.78
    n-decanol 24.98
    triethyl phosphate 31.7
    4-methyl-2-pentanol 36.48
    propionitrile 52.94
    vinylene carbonate 46.5
    1,1,2-trichlorotrifluoroethane 89.34
    DMS 47.19
    cumene 17.01
    2-octanol 25.47
    2-hexanone 78.1
    octyl acetate 33.14
    limonene 22.5
    1,2-dimethoxyethane 194.67
    ethyl orthosilicate 29.88
    tributyl phosphate 24.21
    diacetone alcohol 109.33
    N,N-dimethylaniline 54.88
    acrylonitrile 65.82
    aniline 31.62
    1,3-propanediol 66.06
    bromobenzene 11.4
    dibromomethane 15.14
    1,1,2,2-tetrachloroethane 49.45
    2-methyl-cyclohexyl acetate 43.18
    tetrabutyl urea 37.19
    diisobutyl methanol 26.05
    2-phenylethanol 54.66
    styrene 20.31
    dioctyl adipate 38.95
    dimethyl sulfate 72.0
    ethyl butyrate 50.96
    methyl lactate 49.0
    butyl lactate 37.03
    diethyl carbonate 38.24
    propanediol butyl ether 68.54
    triethyl orthoformate 38.98
    p-tert-butyltoluene 18.8
    methyl 4-tert-butylbenzoate 58.25
    morpholine 129.45
    tert-butylamine 44.63
    n-dodecanol 19.91
    dimethoxymethane 139.49
    ethylene carbonate 36.61
    cyrene 81.14
    2-ethoxyethyl acetate 63.17
    2-ethylhexyl acetate 41.76
    1,2,4-trichlorobenzene 25.87
    4-methylpyridine 54.75
    dibutyl ether 34.8
    2,6-dimethyl-4-heptanol 26.05
    DEF 78.6
    dimethyl isosorbide 130.94
    tetrachloroethylene 32.65
    eugenol 69.42
    triacetin 59.89
    span 80 54.57
    1,4-butanediol 37.48
    1,1-dichloroethane 28.68
    2-methyl-1-pentanol 53.88
    methyl formate 70.38
    2-methyl-1-butanol 46.26
    n-decane 3.74
    butyronitrile 42.65
    3,7-dimethyl-1-octanol 35.9
    1-chlorooctane 16.32
    1-chlorotetradecane 7.82
    n-nonane 3.17
    undecane 3.04
    tert-butylcyclohexane 3.84
    cyclooctane 0.69
    cyclopentanol 38.76
    tetrahydropyran 62.37
    tert-amyl methyl ether 62.58
    2,5,8-trioxanonane 152.48
    1-hexene 9.38
    2-isopropoxyethanol 104.14
    2,2,2-trifluoroethanol 38.1
    methyl butyrate 70.33

    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