2,4-Dichlorobenzyl chloride

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  • Identifiers

    CAS number
    94-99-5

    Molecular formula
    C7H5Cl3

    SMILES
    C1=CC(=C(C=C1Cl)Cl)CCl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 1807.0

  • Odor profile

    Floral 43.98%
    Sweet 35.94%
    Animal 35.19%
    Phenolic 30.61%
    Fruity 28.17%
    Woody 24.43%
    Burnt 22.78%
    Powdery 22.43%
    Musty 22.35%
    Balsamic 22.26%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    195.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point est.
    113.11 ˚C

  • Synonyms

    • 2,4-Dichlorobenzyl chloride
    • 94-99-5
    • 2,4-Dichloro-1-(chloromethyl)benzene
    • 2,4-dichlorobenzylchloride
    • alpha,2,4-Trichlorotoluene
    • Benzene, 2,4-dichloro-1-(chloromethyl)-
    • 2,4-Dichloro-1-chloromethyl-benzene
    • alpha2,4-Trichlorotoluene
    • UNII-85E96P2S3S
    • .alpha.,2,4-Trichlorotoluene
    • Toluene, alpha2,4-trichloro-
    • DTXSID9045005
    • Toluene, .alpha.2,4-trichloro-
    • 85E96P2S3S
    • EINECS 202-381-0
    • MFCD00000895
    • NSC 406892
    • NSC-406892
    • 1-CHLOROMETHYL-2,4-DICHLOROBENZENE
    • AI3-14886
    • DTXCID7025005
    • 2,4,.ALPHA.-TRICHLOROTOLUENE
    • TOLUENE, .ALPHA.,2,4-TRICHLORO-
    • 2,4,alpha-Trichlorotoluene
    • 2,4-DCBC
    • A,2,4-TRICHLOROTOLUENE
    • 2,4-Dichloro-1-chloromethylbenzene
    • DICHLOROBENZYL-2,4 CHLORIDE
    • 1-(Chloromethyl)-2,4-dichlorobenzene
    • Toluene,4-trichloro-
    • 2,4 dichlorobenzylchloride
    • 2,4-dichiorobenzyl chloride
    • .alpha.2,4-Trichlorotoluene
    • I+/-,2,4-trichlorotoluene
    • 2,4-dichloro-benzyl chloride
    • SCHEMBL283639
    • CHEMBL3183024
    • 2,4-dichloro-chloromethylbenzene
    • STR00742
    • 2,4-Dichlorobenzyl chloride, 99%
    • Tox21_301549
    • 1-chloromethyl-2,4-dichloro-benzene
    • BBL009650
    • NSC406892
    • STL141002
    • Toluene, alpha2,4-trichloro-(8CI)
    • 1,3-dichloro-4-(chloromethyl)benzene
    • AKOS000119538
    • Benzene,4-dichloro-1-(chloromethyl)-
    • CS-W021502
    • CAS-94-99-5
    • TOLUENE, ALPHA,2,4-TRICHLORO-
    • NCGC00256182-01
    • AC-10301
    • DB-057545
    • NS00021406
    • T0400
    • EN300-18306
    • D78166
    • Q27269642
    • Z57834457
    • F2190-0273

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.98
    methanol 13.54
    isopropanol 18.8
    water 0.25
    ethyl acetate 54.98
    n-propanol 24.55
    acetone 93.04
    n-butanol 25.9
    acetonitrile 32.97
    DMF 82.01
    toluene 146.66
    isobutanol 22.45
    1,4-dioxane 160.14
    methyl acetate 76.03
    THF 192.42
    2-butanone 89.15
    n-pentanol 37.08
    sec-butanol 29.79
    n-hexane 11.92
    ethylene glycol 8.09
    NMP 108.29
    cyclohexane 16.86
    DMSO 62.39
    n-butyl acetate 100.64
    n-octanol 47.61
    chloroform 210.9
    n-propyl acetate 81.35
    acetic acid 37.13
    dichloromethane 177.88
    cyclohexanone 126.51
    propylene glycol 11.04
    isopropyl acetate 56.78
    DMAc 135.81
    2-ethoxyethanol 71.7
    isopentanol 32.78
    n-heptane 26.39
    ethyl formate 42.18
    1,2-dichloroethane 110.83
    n-hexanol 53.6
    2-methoxyethanol 60.16
    isobutyl acetate 81.15
    tetrachloromethane 55.23
    n-pentyl acetate 81.14
    transcutol 352.97
    n-heptanol 45.19
    ethylbenzene 81.37
    MIBK 73.75
    2-propoxyethanol 98.34
    tert-butanol 40.13
    MTBE 76.03
    2-butoxyethanol 84.54
    propionic acid 27.05
    o-xylene 99.77
    formic acid 11.56
    diethyl ether 55.29
    m-xylene 95.94
    p-xylene 108.22
    chlorobenzene 110.41
    dimethyl carbonate 39.8
    n-octane 12.96
    formamide 23.61
    cyclopentanone 139.4
    2-pentanone 69.06
    anisole 164.38
    cyclopentyl methyl ether 97.53
    gamma-butyrolactone 116.42
    1-methoxy-2-propanol 54.32
    pyridine 155.99
    3-pentanone 66.46
    furfural 168.44
    n-dodecane 11.6
    diethylene glycol 62.6
    diisopropyl ether 39.69
    tert-amyl alcohol 48.06
    acetylacetone 114.65
    n-hexadecane 13.34
    acetophenone 150.79
    methyl propionate 47.38
    isopentyl acetate 108.72
    trichloroethylene 291.78
    n-nonanol 47.38
    cyclohexanol 44.04
    benzyl alcohol 91.92
    2-ethylhexanol 60.07
    isooctanol 47.22
    dipropyl ether 83.57
    1,2-dichlorobenzene 111.07
    ethyl lactate 41.23
    propylene carbonate 80.53
    n-methylformamide 28.9
    2-pentanol 27.9
    n-pentane 9.39
    1-propoxy-2-propanol 87.95
    1-methoxy-2-propyl acetate 113.84
    2-(2-methoxypropoxy) propanol 124.65
    mesitylene 68.62
    ε-caprolactone 105.17
    p-cymene 72.91
    epichlorohydrin 177.53
    1,1,1-trichloroethane 161.31
    2-aminoethanol 15.08
    morpholine-4-carbaldehyde 155.92
    sulfolane 129.75
    2,2,4-trimethylpentane 13.06
    2-methyltetrahydrofuran 135.29
    n-hexyl acetate 95.79
    isooctane 11.45
    2-(2-butoxyethoxy)ethanol 140.68
    sec-butyl acetate 75.96
    tert-butyl acetate 96.77
    decalin 21.05
    glycerin 21.39
    diglyme 269.0
    acrylic acid 30.77
    isopropyl myristate 60.79
    n-butyric acid 37.06
    acetyl acetate 57.98
    di(2-ethylhexyl) phthalate 59.32
    ethyl propionate 60.77
    nitromethane 68.56
    1,2-diethoxyethane 170.93
    benzonitrile 101.47
    trioctyl phosphate 39.83
    1-bromopropane 69.85
    gamma-valerolactone 174.7
    n-decanol 39.8
    triethyl phosphate 62.72
    4-methyl-2-pentanol 31.17
    propionitrile 34.8
    vinylene carbonate 88.78
    1,1,2-trichlorotrifluoroethane 145.91
    DMS 86.26
    cumene 63.74
    2-octanol 38.79
    2-hexanone 104.0
    octyl acetate 65.65
    limonene 90.1
    1,2-dimethoxyethane 171.12
    ethyl orthosilicate 65.18
    tributyl phosphate 47.9
    diacetone alcohol 93.02
    N,N-dimethylaniline 126.22
    acrylonitrile 45.35
    aniline 84.5
    1,3-propanediol 22.9
    bromobenzene 131.38
    dibromomethane 119.44
    1,1,2,2-tetrachloroethane 194.27
    2-methyl-cyclohexyl acetate 104.27
    tetrabutyl urea 69.45
    diisobutyl methanol 49.63
    2-phenylethanol 108.03
    styrene 96.34
    dioctyl adipate 83.0
    dimethyl sulfate 66.48
    ethyl butyrate 89.91
    methyl lactate 34.82
    butyl lactate 59.7
    diethyl carbonate 66.03
    propanediol butyl ether 70.96
    triethyl orthoformate 83.53
    p-tert-butyltoluene 74.3
    methyl 4-tert-butylbenzoate 124.55
    morpholine 125.52
    tert-butylamine 30.62
    n-dodecanol 34.4
    dimethoxymethane 80.03
    ethylene carbonate 63.03
    cyrene 129.4
    2-ethoxyethyl acetate 121.03
    2-ethylhexyl acetate 98.41
    1,2,4-trichlorobenzene 147.49
    4-methylpyridine 154.46
    dibutyl ether 76.34
    2,6-dimethyl-4-heptanol 49.63
    DEF 75.92
    dimethyl isosorbide 235.15
    tetrachloroethylene 147.5
    eugenol 125.91
    triacetin 128.02
    span 80 97.27
    1,4-butanediol 16.43
    1,1-dichloroethane 107.61
    2-methyl-1-pentanol 49.24
    methyl formate 35.62
    2-methyl-1-butanol 32.17
    n-decane 16.81
    butyronitrile 38.17
    3,7-dimethyl-1-octanol 60.05
    1-chlorooctane 51.87
    1-chlorotetradecane 28.44
    n-nonane 15.53
    undecane 13.5
    tert-butylcyclohexane 22.42
    cyclooctane 10.62
    cyclopentanol 41.24
    tetrahydropyran 117.8
    tert-amyl methyl ether 79.32
    2,5,8-trioxanonane 209.29
    1-hexene 39.42
    2-isopropoxyethanol 76.59
    2,2,2-trifluoroethanol 25.69
    methyl butyrate 78.21

    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

Botanical

Name CAS Botanical Proportion
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 4.66%
Valerian, Picked Flowers Valeriana officinalis L., fam. Valerianaceae 4.49%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 4.7%
Phalaenopsis veichiana headspace Phalaenopsis veitchiana, fam. Orchidaceae 4.4%