2,6-Dichlorobenzaldehyde

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  • Identifiers

    CAS number
    83-38-5

    Molecular formula
    C7H4Cl2O

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

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Sweet 51.32%
    Floral 41.98%
    Bitter 36.61%
    Phenolic 36.17%
    Powdery 31.4%
    Almond 30.33%
    Honey 28.1%
    Grape 27.65%
    Neroli 26.89%
    Fruity 26.15%

     

    Flavor
    Bitter 58.7%
    Odorless 31.6%
    Mild 28.56%
    Nitrile 22.02%
    Very strong 20.98%
    Orange flower 20.58%
    Indole 20.48%
    Bread crust 20.42%
    Roasted peanuts 20.03%
    Scallion 19.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.07 (weak acid)

    Molecular weight
    175.01 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 158 to 160 °F (NTP, 1992)

    Boiling point

    • 329 °F at 760 mmHg (NTP, 1992)

    Flash point

    • 95.39 ˚C est.
    • 275 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)

  • Synonyms

    • 2,6-DICHLOROBENZALDEHYDE
    • 83-38-5
    • Benzaldehyde, 2,6-dichloro-
    • CCRIS 6014
    • 2,6-dichloro benzaldehyde
    • NSC 7193
    • EINECS 201-472-2
    • MFCD00003307
    • DTXSID5024970
    • UNII-781ADM5611
    • NSC-7193
    • 2,6-dichloro-benzaldehyde
    • 781ADM5611
    • DTXCID304970
    • O,O'-DICHLOROBENZALDEHYDE
    • o,o'-Dichlorobenzaldehyde; NSC 7193;
    • NSC7193
    • o,o'Dichlorobenzaldehyde
    • 2,6dichloro-benzaldehyde
    • Benzaldehyde,6-dichloro-
    • Benzaldehyde, 2,6dichloro
    • 2,6-dichloro -benzaldehyde
    • SCHEMBL96214
    • MLS002415691
    • (2,6-dichlorophenyl)methanone
    • CHEMBL1442731
    • 2,6-Dichlorobenzaldehyde, 99%
    • HMS3039H11
    • Tox21_200742
    • BBL023680
    • STK199280
    • AKOS000119432
    • CS-W007684
    • FD21656
    • PS-6006
    • CAS-83-38-5
    • NCGC00091746-01
    • NCGC00091746-02
    • NCGC00091746-03
    • NCGC00258296-01
    • SMR001370881
    • DB-015923
    • D0331
    • NS00038251
    • EN300-18410
    • D70634
    • 2,6-Dichlorobenzaldehyde, purum, >=99.0% (T)
    • Q27266626
    • Z57773430
    • F3098-5169
    • 201-472-2

  • Applications

    2,6-Dichlorobenzaldehyde (CAS 83-38-5) is a useful synthetic building block in organic synthesis, serving as a starting point for routes that generate fragrance-related compounds, cosmetic ingredients, and related colorants. In the fragrance and cosmetic sectors, it often acts as a precursor to fragrance components and intermediates for personal care products. In coatings/inks and polymers, its derivatives are used as building blocks for pigments and plastics, supporting the production of paints, inks, and specialty polymers. In the agricultural sector, it is considered a precursor for certain agrochemical compounds such as herbicides and fungicides. These applications typically require appropriate processing conditions and compliance with local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.13
    methanol 86.0
    isopropanol 56.32
    water 0.19
    ethyl acetate 410.16
    n-propanol 79.85
    acetone 359.61
    n-butanol 78.32
    acetonitrile 203.7
    DMF 635.14
    toluene 181.5
    isobutanol 54.92
    1,4-dioxane 576.64
    methyl acetate 372.17
    THF 687.79
    2-butanone 340.25
    n-pentanol 79.01
    sec-butanol 68.86
    n-hexane 14.38
    ethylene glycol 32.21
    NMP 527.01
    cyclohexane 19.53
    DMSO 399.14
    n-butyl acetate 257.62
    n-octanol 68.72
    chloroform 547.7
    n-propyl acetate 254.08
    acetic acid 127.59
    dichloromethane 535.12
    cyclohexanone 406.36
    propylene glycol 29.51
    isopropyl acetate 232.24
    DMAc 472.2
    2-ethoxyethanol 220.79
    isopentanol 77.69
    n-heptane 24.07
    ethyl formate 217.24
    1,2-dichloroethane 423.05
    n-hexanol 104.29
    2-methoxyethanol 314.39
    isobutyl acetate 140.31
    tetrachloromethane 116.89
    n-pentyl acetate 159.34
    transcutol 1122.91
    n-heptanol 61.22
    ethylbenzene 98.96
    MIBK 193.94
    2-propoxyethanol 273.99
    tert-butanol 92.71
    MTBE 137.92
    2-butoxyethanol 156.01
    propionic acid 113.03
    o-xylene 115.06
    formic acid 56.47
    diethyl ether 211.4
    m-xylene 130.48
    p-xylene 120.11
    chlorobenzene 220.36
    dimethyl carbonate 252.57
    n-octane 11.38
    formamide 149.59
    cyclopentanone 457.9
    2-pentanone 307.26
    anisole 292.17
    cyclopentyl methyl ether 288.58
    gamma-butyrolactone 551.77
    1-methoxy-2-propanol 229.55
    pyridine 382.82
    3-pentanone 269.92
    furfural 570.52
    n-dodecane 10.68
    diethylene glycol 246.0
    diisopropyl ether 78.87
    tert-amyl alcohol 87.92
    acetylacetone 520.5
    n-hexadecane 12.61
    acetophenone 264.94
    methyl propionate 328.64
    isopentyl acetate 196.49
    trichloroethylene 882.64
    n-nonanol 69.03
    cyclohexanol 98.75
    benzyl alcohol 162.9
    2-ethylhexanol 88.2
    isooctanol 58.36
    dipropyl ether 141.69
    1,2-dichlorobenzene 237.74
    ethyl lactate 127.91
    propylene carbonate 331.66
    n-methylformamide 258.08
    2-pentanol 67.89
    n-pentane 12.84
    1-propoxy-2-propanol 200.83
    1-methoxy-2-propyl acetate 327.53
    2-(2-methoxypropoxy) propanol 236.0
    mesitylene 90.41
    ε-caprolactone 371.77
    p-cymene 76.07
    epichlorohydrin 722.88
    1,1,1-trichloroethane 410.01
    2-aminoethanol 59.33
    morpholine-4-carbaldehyde 680.18
    sulfolane 601.64
    2,2,4-trimethylpentane 12.63
    2-methyltetrahydrofuran 393.75
    n-hexyl acetate 203.07
    isooctane 12.08
    2-(2-butoxyethoxy)ethanol 303.02
    sec-butyl acetate 179.77
    tert-butyl acetate 261.75
    decalin 25.0
    glycerin 68.16
    diglyme 608.7
    acrylic acid 120.97
    isopropyl myristate 101.82
    n-butyric acid 154.81
    acetyl acetate 297.09
    di(2-ethylhexyl) phthalate 89.04
    ethyl propionate 253.79
    nitromethane 559.27
    1,2-diethoxyethane 381.73
    benzonitrile 229.24
    trioctyl phosphate 66.37
    1-bromopropane 172.44
    gamma-valerolactone 657.06
    n-decanol 56.79
    triethyl phosphate 123.33
    4-methyl-2-pentanol 56.79
    propionitrile 156.44
    vinylene carbonate 327.84
    1,1,2-trichlorotrifluoroethane 435.07
    DMS 289.04
    cumene 68.23
    2-octanol 51.07
    2-hexanone 225.2
    octyl acetate 117.74
    limonene 102.74
    1,2-dimethoxyethane 496.51
    ethyl orthosilicate 110.32
    tributyl phosphate 90.25
    diacetone alcohol 269.51
    N,N-dimethylaniline 184.35
    acrylonitrile 246.16
    aniline 158.02
    1,3-propanediol 97.05
    bromobenzene 252.39
    dibromomethane 323.4
    1,1,2,2-tetrachloroethane 566.41
    2-methyl-cyclohexyl acetate 155.89
    tetrabutyl urea 134.09
    diisobutyl methanol 68.87
    2-phenylethanol 175.89
    styrene 128.5
    dioctyl adipate 144.82
    dimethyl sulfate 381.02
    ethyl butyrate 215.54
    methyl lactate 167.06
    butyl lactate 127.55
    diethyl carbonate 171.69
    propanediol butyl ether 144.93
    triethyl orthoformate 154.63
    p-tert-butyltoluene 78.8
    methyl 4-tert-butylbenzoate 211.72
    morpholine 489.11
    tert-butylamine 56.6
    n-dodecanol 47.53
    dimethoxymethane 524.7
    ethylene carbonate 253.89
    cyrene 243.94
    2-ethoxyethyl acetate 282.94
    2-ethylhexyl acetate 171.78
    1,2,4-trichlorobenzene 281.59
    4-methylpyridine 365.64
    dibutyl ether 123.53
    2,6-dimethyl-4-heptanol 68.87
    DEF 416.54
    dimethyl isosorbide 496.18
    tetrachloroethylene 398.16
    eugenol 226.42
    triacetin 264.42
    span 80 177.72
    1,4-butanediol 47.25
    1,1-dichloroethane 317.86
    2-methyl-1-pentanol 80.24
    methyl formate 274.8
    2-methyl-1-butanol 69.08
    n-decane 15.17
    butyronitrile 152.28
    3,7-dimethyl-1-octanol 83.37
    1-chlorooctane 64.96
    1-chlorotetradecane 33.39
    n-nonane 13.94
    undecane 12.54
    tert-butylcyclohexane 22.27
    cyclooctane 11.53
    cyclopentanol 116.65
    tetrahydropyran 330.92
    tert-amyl methyl ether 137.12
    2,5,8-trioxanonane 440.66
    1-hexene 56.12
    2-isopropoxyethanol 169.1
    2,2,2-trifluoroethanol 101.84
    methyl butyrate 283.57

    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