1,1-Dichloropropane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    78-99-9

    Molecular formula
    C3H6Cl2

    SMILES
    CCC(Cl)Cl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 39.13%
    Green 32.91%
    Cheesy 32.86%
    Oily 31.88%
    Fishy 29.55%
    Floral 29.48%
    Musty 27.98%
    Fermented 25.89%
    Fresh 25.62%
    Sweet 25.3%

     

    Flavor
    Sulfurous 37.39%
    Meaty 31.61%
    Fishy 30.63%
    Ammoniacal 28.3%
    Onion 26.51%
    Sulfury 25.75%
    Bloody 21.34%
    Odorless 21.1%
    Glue 21.07%
    Skunky 19.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.43 (neutral)

    Molecular weight
    112.98 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 190.6 °F at 760 mmHg (USCG, 1999)
    • 88.4 °C
    • 88 °C

    Flash point

    • 6.38 ˚C est.
    • 70 °F (est.) (USCG, 1999)
    • 16 °C
    • 7 °C (45 °F) - closed cup
    • 16 °C o.c.

    Solubility expt.

    • In water, 2,700 mg/L at 20 °C
    • Very slightly soluble in water
    • Soluble in alcohol, ether, benzene, chloroform
    • Soluble in many org solvents
    • Solubility in water: none

  • Synonyms

    • 1,1-DICHLOROPROPANE
    • 78-99-9
    • Propylidene chloride
    • Propane, 1,1-dichloro-
    • R 270fb
    • alpha,alpha-Dichloropropane
    • alpha,alpha-Propylene dichloride
    • HSDB 5131
    • UNII-SR71OVZ2OZ
    • SR71OVZ2OZ
    • EINECS 201-165-3
    • BRN 1731152
    • DTXSID9058818
    • PROPYLIDENE CHLORIDE [MI]
    • 4-01-00-00195 (Beilstein Handbook Reference)
    • 1,1-DICHLOROPROPANE [HSDB]
    • 1,1-Dichloropropane 100 microg/mL in Methanol
    • Propylidene dichloride
    • 1,1-dichloro-propane
    • Propane, 1,1dichloro
    • ethyl methylene chloride
    • alpha,alphaDichloropropane
    • SCHEMBL74614
    • 1,1-Dichloropropane, 97%
    • alpha,alphaPropylene dichloride
    • PROPANE,1,1-DICHLORO-
    • CHEMBL2287704
    • DTXCID8048105
    • AKOS015913725
    • AS-88042
    • NS00022802
    • G77839
    • Q2715351
    • 201-165-3

  • Applications

    1,1-Dichloropropane (CAS 78-99-9) is primarily used as an organic-chemical intermediate and a building block for the synthesis of other chlorinated compounds and specialty polymers; it may serve as a reactive solvent or reaction medium in industrial organic synthesis; it is used as a precursor or feedstock for coatings, adhesives, and plastics-related formulations; it can be employed in electronics-related processing as a processing solvent or cleaning aid under controlled conditions; and it is often evaluated for additional industrial uses where halogenated hydrocarbon building blocks are required, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 199.97
    methanol 182.08
    isopropanol 199.55
    water 1.53
    ethyl acetate 302.84
    n-propanol 191.59
    acetone 658.68
    n-butanol 228.43
    acetonitrile 382.51
    DMF 722.04
    toluene 263.73
    isobutanol 183.56
    1,4-dioxane 552.11
    methyl acetate 379.75
    THF 703.47
    2-butanone 546.87
    n-pentanol 211.83
    sec-butanol 242.56
    n-hexane 92.08
    ethylene glycol 46.28
    NMP 934.85
    cyclohexane 160.97
    DMSO 742.08
    n-butyl acetate 483.41
    n-octanol 189.92
    chloroform 905.01
    n-propyl acetate 317.76
    acetic acid 376.07
    dichloromethane 724.49
    cyclohexanone 803.91
    propylene glycol 65.57
    isopropyl acetate 238.08
    DMAc 744.6
    2-ethoxyethanol 258.93
    isopentanol 240.78
    n-heptane 115.97
    ethyl formate 228.41
    1,2-dichloroethane 477.99
    n-hexanol 256.5
    2-methoxyethanol 283.99
    isobutyl acetate 222.42
    tetrachloromethane 281.48
    n-pentyl acetate 323.82
    transcutol 985.06
    n-heptanol 165.76
    ethylbenzene 187.03
    MIBK 274.46
    2-propoxyethanol 318.32
    tert-butanol 323.29
    MTBE 387.37
    2-butoxyethanol 241.82
    propionic acid 225.45
    o-xylene 242.57
    formic acid 82.1
    diethyl ether 309.57
    m-xylene 197.51
    p-xylene 318.58
    chlorobenzene 398.64
    dimethyl carbonate 116.03
    n-octane 56.26
    formamide 136.63
    cyclopentanone 811.63
    2-pentanone 411.9
    anisole 340.53
    cyclopentyl methyl ether 365.99
    gamma-butyrolactone 680.93
    1-methoxy-2-propanol 239.55
    pyridine 560.09
    3-pentanone 344.48
    furfural 716.26
    n-dodecane 41.71
    diethylene glycol 209.48
    diisopropyl ether 144.75
    tert-amyl alcohol 339.69
    acetylacetone 512.73
    n-hexadecane 47.54
    acetophenone 427.55
    methyl propionate 235.48
    isopentyl acetate 432.69
    trichloroethylene 1012.52
    n-nonanol 171.97
    cyclohexanol 313.72
    benzyl alcohol 262.36
    2-ethylhexanol 237.13
    isooctanol 153.2
    dipropyl ether 277.08
    1,2-dichlorobenzene 441.69
    ethyl lactate 127.38
    propylene carbonate 407.59
    n-methylformamide 234.66
    2-pentanol 199.2
    n-pentane 83.55
    1-propoxy-2-propanol 307.93
    1-methoxy-2-propyl acetate 327.93
    2-(2-methoxypropoxy) propanol 340.47
    mesitylene 161.88
    ε-caprolactone 611.49
    p-cymene 211.02
    epichlorohydrin 612.84
    1,1,1-trichloroethane 713.09
    2-aminoethanol 85.71
    morpholine-4-carbaldehyde 743.69
    sulfolane 935.02
    2,2,4-trimethylpentane 72.58
    2-methyltetrahydrofuran 610.94
    n-hexyl acetate 387.23
    isooctane 49.77
    2-(2-butoxyethoxy)ethanol 394.49
    sec-butyl acetate 235.21
    tert-butyl acetate 320.28
    decalin 95.24
    glycerin 99.35
    diglyme 707.45
    acrylic acid 216.46
    isopropyl myristate 198.82
    n-butyric acid 320.44
    acetyl acetate 259.05
    di(2-ethylhexyl) phthalate 174.09
    ethyl propionate 217.21
    nitromethane 581.91
    1,2-diethoxyethane 492.26
    benzonitrile 441.2
    trioctyl phosphate 131.84
    1-bromopropane 343.62
    gamma-valerolactone 827.65
    n-decanol 135.74
    triethyl phosphate 198.51
    4-methyl-2-pentanol 138.66
    propionitrile 261.96
    vinylene carbonate 364.26
    1,1,2-trichlorotrifluoroethane 480.66
    DMS 272.62
    cumene 156.25
    2-octanol 157.58
    2-hexanone 410.08
    octyl acetate 224.97
    limonene 320.67
    1,2-dimethoxyethane 562.01
    ethyl orthosilicate 199.52
    tributyl phosphate 182.66
    diacetone alcohol 328.44
    N,N-dimethylaniline 297.72
    acrylonitrile 323.79
    aniline 265.03
    1,3-propanediol 140.45
    bromobenzene 433.13
    dibromomethane 521.09
    1,1,2,2-tetrachloroethane 804.95
    2-methyl-cyclohexyl acetate 323.55
    tetrabutyl urea 250.88
    diisobutyl methanol 183.55
    2-phenylethanol 291.65
    styrene 241.86
    dioctyl adipate 273.01
    dimethyl sulfate 252.08
    ethyl butyrate 344.72
    methyl lactate 120.0
    butyl lactate 229.81
    diethyl carbonate 226.15
    propanediol butyl ether 255.73
    triethyl orthoformate 272.37
    p-tert-butyltoluene 214.87
    methyl 4-tert-butylbenzoate 331.79
    morpholine 542.86
    tert-butylamine 244.87
    n-dodecanol 114.56
    dimethoxymethane 271.24
    ethylene carbonate 290.06
    cyrene 324.98
    2-ethoxyethyl acetate 373.94
    2-ethylhexyl acetate 392.48
    1,2,4-trichlorobenzene 538.89
    4-methylpyridine 640.05
    dibutyl ether 304.18
    2,6-dimethyl-4-heptanol 183.55
    DEF 464.44
    dimethyl isosorbide 556.41
    tetrachloroethylene 578.02
    eugenol 305.04
    triacetin 385.66
    span 80 315.51
    1,4-butanediol 90.69
    1,1-dichloroethane 532.99
    2-methyl-1-pentanol 223.25
    methyl formate 199.66
    2-methyl-1-butanol 228.93
    n-decane 64.86
    butyronitrile 308.91
    3,7-dimethyl-1-octanol 219.75
    1-chlorooctane 188.72
    1-chlorotetradecane 90.78
    n-nonane 68.48
    undecane 49.72
    tert-butylcyclohexane 91.39
    cyclooctane 66.62
    cyclopentanol 301.66
    tetrahydropyran 566.43
    tert-amyl methyl ether 332.69
    2,5,8-trioxanonane 555.48
    1-hexene 231.45
    2-isopropoxyethanol 231.06
    2,2,2-trifluoroethanol 150.95
    methyl butyrate 340.73

    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