Tris(2-chloroethyl) phosphate

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  • Identifiers

    CAS number
    115-96-8

    Molecular formula
    C6H12Cl3O4P

    SMILES
    C(CCl)OP(=O)(OCCCl)OCCCl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 51.06%
    Sweet 31.18%
    Alcoholic 27.1%
    Fresh 24.29%
    Fruity 19.96%
    Oily 18.31%
    Ethereal 18.28%
    Cooling 17.98%
    Savory 17.69%
    Clean 16.19%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    285.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • less than -76 °F (NTP, 1992)
    • -55 °C
    • -51 °C

    Boiling point

    • 626 °F at 760 mmHg (NTP, 1992)
    • 330 °C
    • BP: 210-220 °C

    Flash point est.
    177.92 ˚C

    Flash point expt.

    • 450 °F (NTP, 1992)
    • 216 °C (Cleveland open cup)
    • 232 °C (450 °F) (Closed cup)
    • 202 °C c.c.

    Solubility expt.

    • 1 to 5 mg/mL at 68 °F (NTP, 1992)
    • In water, 7.82X10+3 mg/L at 20 °C
    • In water, 7,000 mg/L, temp not specified.
    • Insoluble in benzene. Soluble in most organic solvents.
    • Slightly soluble in carbon tetrachloride
    • Very slightly soluble in aliphatic hydrocarbons; soluble in alcohols, esters, ketones and aromatic hydrocarbons.
    • Solubility in water, g/100ml at 20 °C: 0.78 (very poor)

  • Synonyms

    • Tris(2-chloroethyl) phosphate
    • 115-96-8
    • Tris(2-chloroethyl) orthophosphate
    • Tri(beta-chloroethyl) phosphate
    • Tris(2-chloroethyl)phosphate
    • Celluflex
    • Fyrol CEF
    • Disflamoll TCA
    • Celluflex CEF
    • Tris(chloroethyl) phosphate
    • Niax 3CF
    • Tris(chloroethyl)phosphate
    • Trichlorethyl phosphate
    • 2-Chloroethanol phosphate
    • Niax Flame Retardant 3CF
    • Genomoll P
    • TRI(2-CHLOROETHYL) PHOSPHATE
    • Ethanol, 2-chloro-, 1,1',1''-phosphate
    • Ethanol, 2-chloro-, phosphate (3:1)
    • Fyrol CF
    • Tris(beta-chloroethyl) phosphate
    • Tris-(2-chlorethyl)fosfat
    • NCI-C60128
    • Tri(2-chloroethyl)phosphate
    • NSC 3213
    • Tri-beta-chloroethyl phosphate
    • CCRIS 1302
    • DTXSID5021411
    • HSDB 2577
    • Tris-(2-chlorethyl)fosfat [Czech]
    • Tris-(2-chloroethyl)fosfat
    • EINECS 204-118-5
    • Tris-(2-chloroethyl)fosfat [Czech]
    • UNII-32IVO568B0
    • BRN 1710938
    • CHEBI:35037
    • Phosphoric Acid Tris(2-chloroethyl) Ester
    • Phosphoric acid, tris(2-chloroethyl)ester
    • AI3-15023
    • Tri(.beta.-chloroethyl) phosphate
    • NSC-3213
    • 2-Chloro-ethanol phosphate (3:1)
    • EINECS 249-806-6
    • Phosphoric acid, tris(2-chloroethyl) ester
    • DTXCID601411
    • 29716-44-7
    • EC 204-118-5
    • 32IVO568B0
    • Tris(.beta.-chloroethyl) phosphate
    • 4-01-00-01379 (Beilstein Handbook Reference)
    • Phosphoric acid, tri-2-chloroethyl ester
    • TRIS(2-CHLOROETHYL) PHOSPHATE [HSDB]
    • TRIS(2-CHLOROETHYL) PHOSPHATE [IARC]
    • 3CF
    • Antiblaze 100
    • Tris(2-chloroethyl) phosphate 10 microg/mL in Cyclohexane
    • Tris-(2-chloroethyl)fosfat (Czech)
    • C6H12Cl3O4P
    • CAS-115-96-8
    • TRIS(2-CHLOROETHYL) PHOSPHATE (IARC)
    • tri(chloroethyl)phosphate
    • Tris(|A-chloroethyl) phosphate
    • Levagard EP
    • tris(2-chlorethyl)orthophosphate
    • Nuogard TCEP
    • Tolgard TCEP
    • Hostaflam UP810
    • AMGARD TCEP
    • Tris(2chlorethyl)fosfat
    • 2Chloroethanol phosphate
    • Tris(2chloroethyl)fosfat
    • Ethanol-2-chlor-phosphat
    • tri(2chloroethyl)phosphate
    • tri(chloroethyl) phosphate
    • tribetachloroethyl phosphate
    • Tris(2chloroethyl)phosphate
    • Tri(2chloroethyl) phosphate
    • SCHEMBL26896
    • Tris(-chloroethyl) phosphate
    • Tris(2chloroethyl) phosphate
    • MLS001056210
    • BIDD:ER0311
    • tris(2-chloroethyl)-phosphate
    • tri-(2-chloroethyl) phosphate
    • Tris(betachloroethyl) phosphate
    • Tris(monochloroethyl) phosphate
    • CHEMBL1413786
    • Tri-.beta.-chloroethyl phosphate
    • Tris(2-chloroethyl)phosphic acid
    • WLN: G2OPO & O2GO2G
    • NSC3213
    • Tris(2chloroethyl) orthophosphate
    • DTXSID901016653
    • EINECS 270-139-1
    • Tox21_201254
    • Tox21_300074
    • Ethanol, 2chloro, phosphate (3:1)
    • Tris(2-chloroethyl) phosphate, 97%
    • AKOS009029110
    • Phosphorsaeure-tris-(2-chloretyl)-ester
    • NCGC00091566-01
    • NCGC00091566-02
    • NCGC00091566-03
    • NCGC00254139-01
    • NCGC00258806-01
    • Phosphoric acid, tris(2chloroethyl)ester
    • Tris(2-chloroethyl)ester phosphoric acid
    • SMR001216601
    • Tris (2-Chlorethyl)-orthophosphorsaureester
    • CS-0030742
    • NS00010387
    • P0268
    • T3447
    • EN300-19161
    • A11341
    • Tri(2-chloroethyl) phosphoric acid ethyl ester
    • Tris(2-chloroethyl) phosphate, analytical standard
    • Q1670500
    • Tris(2-chloroethyl) phosphate, certified reference material, TraceCERT(R)
    • 249-806-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.41
    methanol 290.84
    isopropanol 123.91
    water 112.17
    ethyl acetate 137.67
    n-propanol 133.67
    acetone 280.81
    n-butanol 102.2
    acetonitrile 257.53
    DMF 861.57
    toluene 65.08
    isobutanol 93.59
    1,4-dioxane 246.04
    methyl acetate 198.13
    THF 301.86
    2-butanone 189.47
    n-pentanol 100.93
    sec-butanol 128.77
    n-hexane 27.01
    ethylene glycol 99.84
    NMP 764.53
    cyclohexane 72.49
    DMSO 896.98
    n-butyl acetate 124.29
    n-octanol 84.9
    chloroform 702.29
    n-propyl acetate 135.27
    acetic acid 339.48
    dichloromethane 752.67
    cyclohexanone 316.72
    propylene glycol 78.48
    isopropyl acetate 93.29
    DMAc 736.17
    2-ethoxyethanol 228.31
    isopentanol 78.35
    n-heptane 43.07
    ethyl formate 187.37
    1,2-dichloroethane 401.23
    n-hexanol 80.57
    2-methoxyethanol 276.81
    isobutyl acetate 75.21
    tetrachloromethane 121.28
    n-pentyl acetate 131.2
    transcutol 255.12
    n-heptanol 79.26
    ethylbenzene 53.86
    MIBK 78.72
    2-propoxyethanol 156.47
    tert-butanol 129.86
    MTBE 111.51
    2-butoxyethanol 143.58
    propionic acid 181.65
    o-xylene 78.61
    formic acid 344.21
    diethyl ether 150.05
    m-xylene 46.87
    p-xylene 78.38
    chlorobenzene 140.42
    dimethyl carbonate 110.61
    n-octane 23.65
    formamide 539.5
    cyclopentanone 341.53
    2-pentanone 133.61
    anisole 118.13
    cyclopentyl methyl ether 147.47
    gamma-butyrolactone 415.62
    1-methoxy-2-propanol 175.56
    pyridine 299.33
    3-pentanone 151.75
    furfural 504.32
    n-dodecane 16.48
    diethylene glycol 154.99
    diisopropyl ether 46.48
    tert-amyl alcohol 128.94
    acetylacetone 172.77
    n-hexadecane 17.77
    acetophenone 175.09
    methyl propionate 152.4
    isopentyl acetate 97.42
    trichloroethylene 658.14
    n-nonanol 77.46
    cyclohexanol 137.69
    benzyl alcohol 128.88
    2-ethylhexanol 70.08
    isooctanol 65.09
    dipropyl ether 109.01
    1,2-dichlorobenzene 177.33
    ethyl lactate 103.24
    propylene carbonate 223.34
    n-methylformamide 430.78
    2-pentanol 82.46
    n-pentane 37.66
    1-propoxy-2-propanol 122.53
    1-methoxy-2-propyl acetate 108.66
    2-(2-methoxypropoxy) propanol 120.68
    mesitylene 39.38
    ε-caprolactone 262.43
    p-cymene 60.68
    epichlorohydrin 344.55
    1,1,1-trichloroethane 227.07
    2-aminoethanol 139.23
    morpholine-4-carbaldehyde 502.18
    sulfolane 589.74
    2,2,4-trimethylpentane 19.88
    2-methyltetrahydrofuran 221.97
    n-hexyl acetate 128.28
    isooctane 10.16
    2-(2-butoxyethoxy)ethanol 142.41
    sec-butyl acetate 79.58
    tert-butyl acetate 86.59
    decalin 23.7
    glycerin 135.57
    diglyme 321.15
    acrylic acid 235.61
    isopropyl myristate 58.29
    n-butyric acid 161.52
    acetyl acetate 113.13
    di(2-ethylhexyl) phthalate 68.62
    ethyl propionate 118.06
    nitromethane 622.9
    1,2-diethoxyethane 139.6
    benzonitrile 180.78
    trioctyl phosphate 59.55
    1-bromopropane 184.16
    gamma-valerolactone 429.06
    n-decanol 59.35
    triethyl phosphate 95.57
    4-methyl-2-pentanol 46.66
    propionitrile 157.7
    vinylene carbonate 277.13
    1,1,2-trichlorotrifluoroethane 376.65
    DMS 110.82
    cumene 42.92
    2-octanol 69.68
    2-hexanone 126.18
    octyl acetate 77.91
    limonene 88.64
    1,2-dimethoxyethane 375.6
    ethyl orthosilicate 90.67
    tributyl phosphate 64.01
    diacetone alcohol 106.9
    N,N-dimethylaniline 140.01
    acrylonitrile 239.82
    aniline 117.56
    1,3-propanediol 134.28
    bromobenzene 132.06
    dibromomethane 485.29
    1,1,2,2-tetrachloroethane 541.21
    2-methyl-cyclohexyl acetate 107.94
    tetrabutyl urea 112.94
    diisobutyl methanol 49.03
    2-phenylethanol 98.99
    styrene 72.37
    dioctyl adipate 97.4
    dimethyl sulfate 248.92
    ethyl butyrate 124.44
    methyl lactate 123.65
    butyl lactate 110.92
    diethyl carbonate 98.72
    propanediol butyl ether 126.14
    triethyl orthoformate 108.44
    p-tert-butyltoluene 57.17
    methyl 4-tert-butylbenzoate 154.26
    morpholine 294.62
    tert-butylamine 99.07
    n-dodecanol 47.64
    dimethoxymethane 273.01
    ethylene carbonate 202.61
    cyrene 173.02
    2-ethoxyethyl acetate 139.79
    2-ethylhexyl acetate 91.66
    1,2,4-trichlorobenzene 203.67
    4-methylpyridine 261.73
    dibutyl ether 87.06
    2,6-dimethyl-4-heptanol 49.03
    DEF 291.09
    dimethyl isosorbide 198.01
    tetrachloroethylene 405.86
    eugenol 155.61
    triacetin 155.99
    span 80 113.81
    1,4-butanediol 100.09
    1,1-dichloroethane 258.16
    2-methyl-1-pentanol 82.58
    methyl formate 323.88
    2-methyl-1-butanol 89.49
    n-decane 27.37
    butyronitrile 142.7
    3,7-dimethyl-1-octanol 67.66
    1-chlorooctane 72.51
    1-chlorotetradecane 31.17
    n-nonane 27.54
    undecane 20.19
    tert-butylcyclohexane 17.35
    cyclooctane 29.14
    cyclopentanol 165.5
    tetrahydropyran 209.61
    tert-amyl methyl ether 108.56
    2,5,8-trioxanonane 211.91
    1-hexene 55.38
    2-isopropoxyethanol 143.31
    2,2,2-trifluoroethanol 239.07
    methyl butyrate 162.29

    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