o-Chlorobenzaldehyde

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  • Identifiers

    CAS number
    89-98-5

    Molecular formula
    C7H5ClO

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

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Sweet 73.55%
    Almond 64.1%
    Bitter 57.67%
    Cherry 57.58%
    Phenolic 48.28%
    Floral 40.89%
    Hawthorn 40.65%
    Vanilla 40.36%
    Powdery 40.34%
    Spicy 40.26%

     

    Flavor
    Bitter 43.7%
    Phenolic 35.24%
    Almond 31.84%
    Mild 28.71%
    Nutty 28.05%
    Cherry 25.94%
    Almond shell 23.31%
    Medical 23.14%
    Nitrile 23.03%
    Burnt sugar 22.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.53 (weak acid)

    Molecular weight
    140.56 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 54.3 °F (NTP, 1992)
    • 11.9 °C
    • 12.4 °C

    Boiling point

    • 413.4 °F at 760 mmHg (NTP, 1992)
    • 212 °C
    • 211.9 °C

    Flash point

    • 79.21 ˚C est.
    • 190 °F (NTP, 1992)
    • 87 °C (189 °F) (SRP: closed cup)
    • 87 °C c.c.

    Solubility expt.

    • 1 to 5 mg/mL at 75 °F (NTP, 1992)
    • Slightly soluble in water
    • Soluble in ethanol, diethyl ether, acetone, benzene, carbon tetrachloride
    • Solubility in water, g/l at 20 °C: 1.8 (poor)

  • Synonyms

    • 2-Chlorobenzaldehyde
    • 89-98-5
    • O-CHLOROBENZALDEHYDE
    • Chlorobenzaldehyde
    • Benzaldehyde, 2-chloro-
    • Benzaldehyde, o-chloro-
    • 2-Chlorbenzaldehyd
    • 2-Clorobenzaldeide
    • o-Chloorbenzaldehyde
    • USAF M-7
    • 2-Chloorbenzaldehyde
    • 2-chloro-benzaldehyde
    • o-Chlorobenzenecarboxaldehyde
    • 2-Chlorbenzaldehyd [German]
    • o-Chloorbenzaldehyde [Dutch]
    • 2-Chloorbenzaldehyde [Dutch]
    • 2-Clorobenzaldeide [Italian]
    • NSC 15347
    • CCRIS 5991
    • HSDB 2727
    • QHR24X1LXK
    • BENZALDEHYDE,CHLORO-
    • 35913-09-8
    • EINECS 201-956-3
    • MFCD00003304
    • o-Chloroformylbenzene
    • DTXSID5024764
    • AI3-04254
    • ortho-chlorobenzaldehyde
    • NSC-15347
    • CHLOROBENZALDEHYDE, O-
    • DTXCID204764
    • EC 201-956-3
    • 2-Chlorbenzaldehyd (German)
    • o-Chloorbenzaldehyde (Dutch)
    • 2-Chloorbenzaldehyde (Dutch)
    • 2-Clorobenzaldeide (Italian)
    • 2-chloro benzaldehyde
    • Benzaldehyde, chloro-
    • UNII-QHR24X1LXK
    • 2Chlorbenzaldehyd
    • 2Clorobenzaldeide
    • oChloorbenzaldehyde
    • 2chlorobenzaldehyde
    • o-chlorobezaldehyde
    • 2Chloorbenzaldehyde
    • 2-chlorobezaldehyde
    • 6-chlorobenzaldehyde
    • Benzaldehyde, ochloro
    • orthochlorobenzaldehyde
    • 2- chlorobenzaldehyde
    • 2-chlorobenzenaldehyde
    • Benzaldehyde, 2chloro
    • NSC 174140
    • (2-chloro)benzaldehye
    • (2-chloro)benzaldehyde
    • (2-chloro) benzaldehyde
    • WLN: VHR BG
    • oChlorobenzenecarboxaldehyde
    • 2-Chlorobenzaldehyde, 99%
    • SCHEMBL97422
    • MLS001056242
    • BENZALDEHYDE,2-CHLORO-
    • CHEMBL1547989
    • NSC15347
    • STR00143
    • Tox21_200373
    • 0-CHLOROBENZENECARBOXYALDEHYDE
    • STL146016
    • AKOS000119188
    • CS-W003973
    • CAS-89-98-5
    • NCGC00091218-01
    • NCGC00091218-02
    • NCGC00257927-01
    • SMR001216556
    • DB-303226
    • DS-006490
    • NS00009019
    • EN300-19123
    • D77644
    • Q2195231
    • 2-Chlorobenzaldehyde, purum, dist., >=98.0% (GC)
    • F2190-0599
    • Z104472866
    • 201-956-3

  • Applications

    o-Chlorobenzaldehyde (CAS 89-98-5) is primarily an organic synthesis intermediate used as a building block in many industrial manufacturing processes. It serves as a scaffold for the preparation of aryl and heteroaryl compounds and functions as a precursor for dye and pigment manufacture. In the fragrance and cosmetic sectors, it is employed as a fragrance precursor or aldehydic odorant to contribute to aromatic notes. It is also commonly used as an intermediate in the synthesis of pharmaceutical and agrochemical compounds, enabling routes to various active ingredients. In polymer and coating chemistries, it provides a reactive aldehyde building block for functional monomers and crosslinkable materials. Additionally, it may appear in specialty chemical formulations and research as a starting material for further chemical transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 138.83
    methanol 144.77
    isopropanol 84.94
    water 0.57
    ethyl acetate 610.36
    n-propanol 123.07
    acetone 494.73
    n-butanol 110.59
    acetonitrile 404.8
    DMF 964.06
    toluene 235.4
    isobutanol 80.97
    1,4-dioxane 819.88
    methyl acetate 626.28
    THF 669.78
    2-butanone 509.99
    n-pentanol 108.56
    sec-butanol 96.55
    n-hexane 15.78
    ethylene glycol 46.64
    NMP 644.47
    cyclohexane 25.28
    DMSO 602.1
    n-butyl acetate 379.24
    n-octanol 92.87
    chloroform 858.54
    n-propyl acetate 375.16
    acetic acid 261.59
    dichloromethane 840.51
    cyclohexanone 535.08
    propylene glycol 39.97
    isopropyl acetate 290.34
    DMAc 675.37
    2-ethoxyethanol 267.24
    isopentanol 106.91
    n-heptane 23.37
    ethyl formate 318.9
    1,2-dichloroethane 687.64
    n-hexanol 143.5
    2-methoxyethanol 375.97
    isobutyl acetate 195.94
    tetrachloromethane 145.09
    n-pentyl acetate 194.96
    transcutol 2025.06
    n-heptanol 79.1
    ethylbenzene 134.24
    MIBK 223.1
    2-propoxyethanol 328.34
    tert-butanol 133.58
    MTBE 187.51
    2-butoxyethanol 209.45
    propionic acid 224.48
    o-xylene 146.04
    formic acid 101.99
    diethyl ether 290.09
    m-xylene 159.41
    p-xylene 173.21
    chlorobenzene 332.53
    dimethyl carbonate 282.21
    n-octane 11.29
    formamide 289.97
    cyclopentanone 559.38
    2-pentanone 378.28
    anisole 373.62
    cyclopentyl methyl ether 290.69
    gamma-butyrolactone 799.6
    1-methoxy-2-propanol 256.01
    pyridine 651.66
    3-pentanone 342.12
    furfural 775.61
    n-dodecane 10.96
    diethylene glycol 275.48
    diisopropyl ether 88.44
    tert-amyl alcohol 125.39
    acetylacetone 572.28
    n-hexadecane 12.97
    acetophenone 362.12
    methyl propionate 439.29
    isopentyl acetate 276.86
    trichloroethylene 1465.59
    n-nonanol 88.03
    cyclohexanol 125.48
    benzyl alcohol 210.41
    2-ethylhexanol 113.95
    isooctanol 74.41
    dipropyl ether 163.02
    1,2-dichlorobenzene 326.99
    ethyl lactate 149.34
    propylene carbonate 452.62
    n-methylformamide 425.74
    2-pentanol 90.82
    n-pentane 12.5
    1-propoxy-2-propanol 243.82
    1-methoxy-2-propyl acetate 394.78
    2-(2-methoxypropoxy) propanol 297.27
    mesitylene 101.93
    ε-caprolactone 531.39
    p-cymene 84.76
    epichlorohydrin 909.98
    1,1,1-trichloroethane 624.1
    2-aminoethanol 87.33
    morpholine-4-carbaldehyde 850.64
    sulfolane 751.42
    2,2,4-trimethylpentane 12.42
    2-methyltetrahydrofuran 426.27
    n-hexyl acetate 269.31
    isooctane 12.33
    2-(2-butoxyethoxy)ethanol 400.17
    sec-butyl acetate 232.44
    tert-butyl acetate 313.3
    decalin 26.69
    glycerin 86.73
    diglyme 892.79
    acrylic acid 235.61
    isopropyl myristate 115.74
    n-butyric acid 251.99
    acetyl acetate 386.57
    di(2-ethylhexyl) phthalate 95.89
    ethyl propionate 314.67
    nitromethane 1010.32
    1,2-diethoxyethane 541.32
    benzonitrile 336.57
    trioctyl phosphate 70.93
    1-bromopropane 245.56
    gamma-valerolactone 825.0
    n-decanol 69.21
    triethyl phosphate 138.39
    4-methyl-2-pentanol 69.24
    propionitrile 270.13
    vinylene carbonate 453.89
    1,1,2-trichlorotrifluoroethane 566.05
    DMS 377.48
    cumene 85.14
    2-octanol 62.39
    2-hexanone 322.13
    octyl acetate 137.71
    limonene 112.59
    1,2-dimethoxyethane 602.68
    ethyl orthosilicate 122.53
    tributyl phosphate 103.06
    diacetone alcohol 316.42
    N,N-dimethylaniline 212.9
    acrylonitrile 425.31
    aniline 207.06
    1,3-propanediol 132.16
    bromobenzene 363.86
    dibromomethane 479.36
    1,1,2,2-tetrachloroethane 883.87
    2-methyl-cyclohexyl acetate 187.2
    tetrabutyl urea 138.83
    diisobutyl methanol 81.8
    2-phenylethanol 225.31
    styrene 183.05
    dioctyl adipate 173.54
    dimethyl sulfate 434.08
    ethyl butyrate 283.76
    methyl lactate 193.19
    butyl lactate 154.58
    diethyl carbonate 211.27
    propanediol butyl ether 193.85
    triethyl orthoformate 181.61
    p-tert-butyltoluene 81.43
    methyl 4-tert-butylbenzoate 250.15
    morpholine 687.81
    tert-butylamine 78.99
    n-dodecanol 55.48
    dimethoxymethane 543.4
    ethylene carbonate 349.28
    cyrene 251.76
    2-ethoxyethyl acetate 380.2
    2-ethylhexyl acetate 224.35
    1,2,4-trichlorobenzene 380.18
    4-methylpyridine 556.22
    dibutyl ether 158.94
    2,6-dimethyl-4-heptanol 81.8
    DEF 547.44
    dimethyl isosorbide 541.15
    tetrachloroethylene 615.33
    eugenol 260.34
    triacetin 353.76
    span 80 210.4
    1,4-butanediol 62.54
    1,1-dichloroethane 532.56
    2-methyl-1-pentanol 109.78
    methyl formate 393.16
    2-methyl-1-butanol 94.14
    n-decane 16.43
    butyronitrile 231.55
    3,7-dimethyl-1-octanol 107.38
    1-chlorooctane 80.35
    1-chlorotetradecane 36.06
    n-nonane 15.14
    undecane 13.07
    tert-butylcyclohexane 23.97
    cyclooctane 11.63
    cyclopentanol 140.57
    tetrahydropyran 457.8
    tert-amyl methyl ether 159.52
    2,5,8-trioxanonane 580.14
    1-hexene 72.75
    2-isopropoxyethanol 207.52
    2,2,2-trifluoroethanol 154.69
    methyl butyrate 400.12

    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