Benzyl butyl phthalate

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  • Identifiers

    CAS number
    85-68-7

    Molecular formula
    C19H20O4

    SMILES
    CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Balsamic 70.53%
    Herbal 52.77%
    Floral 48.45%
    Sweet 39.95%
    Green 38.28%
    Fruity 36.7%
    Odorless 31.95%
    Spicy 27.59%
    Aromatic 26.72%
    Honey 26.42%

     

    Flavor
    Balsam 56.86%
    Fruity 35.49%
    Herbal 34.92%
    Bitter 33.55%
    Floral 32.54%
    Faint 32.01%
    Balsamic 30.1%
    Wintergreen 29.89%
    Sweet 28.35%
    Strawberry 26.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    5.51 (weak acid)

    Molecular weight
    312.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • less than -31 °F (NTP, 1992)
    • -35 °C

    Boiling point

    • 698 °F at 760 mmHg (NTP, 1992)
    • 370 °C

    Flash point

    • 188.33 ˚C est.
    • 390 °F (NTP, 1992)
    • 390 °F (199 °C) (Closed Cup)
    • 198 °C

    Solubility expt.

    • less than 0.1 mg/mL at 72.5 °F (NTP, 1992)
    • In water, 2.69 mg/L at 25 °C
    • Solubility in water, mg/l: 0.71 (very poor)

  • Synonyms

    • Benzyl butyl phthalate
    • 85-68-7
    • BUTYL BENZYL PHTHALATE
    • Sicol
    • Palatinol BB
    • Butylbenzyl phthalate
    • Santicizer 160
    • Unimoll BB
    • n-Butyl benzyl phthalate
    • Sicol 160
    • Butylbenzylphthalate
    • Benzyl n-butyl phthalate
    • 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
    • Spatozoate
    • Phthalic acid, benzyl butyl ester
    • Caswell No. 125G
    • NCI-C54375
    • 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate
    • BBP
    • CCRIS 104
    • NSC 71001
    • DTXSID3020205
    • HSDB 2107
    • UNII-YPC4PJX59M
    • Butyl phenylmethyl 1,2-benzenedicarboxylate
    • EINECS 201-622-7
    • BRN 2062204
    • benzyl-butyl-phthalate
    • AI3-14777
    • Benzyl-butylester kyseliny ftalove
    • MFCD00009440
    • NSC-71001
    • YPC4PJX59M
    • DTXCID70205
    • Phthalic acid, benzylbutyl ester
    • 1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester
    • CHEBI:34595
    • O2-benzyl O1-butyl benzene-1,2-dicarboxylate
    • EC 201-622-7
    • 4-09-00-03218 (Beilstein Handbook Reference)
    • BUTYL BENZYL PHTHALATE [HSDB]
    • BUTYL BENZYL PHTHALATE [IARC]
    • Benzyl Butyl Benzene-1,2-Dicarboxylate
    • NCGC00090780-04
    • benzylbutylphthalate
    • Benzyl butylphthalate
    • Phthalic Acid Benzyl Butyl Ester
    • BUTYL BENZYL PHTHALATE (IARC)
    • CAS-85-68-7
    • Ketjenflex 160
    • Benzyl butyl phthalate, analytical standard
    • Diacizer D 160
    • Santicizer C 160
    • Santicizer S 160
    • Benzyl-butylester kyseliny ftalove [Czech]
    • Benzyl nbutyl phthalate
    • nButyl benzyl phthalate
    • Spectrum_001977
    • 4mg6
    • benzyl-n-butyl phthalate
    • SpecPlus_000622
    • Spectrum2_001805
    • Spectrum3_000871
    • Spectrum4_000711
    • Spectrum5_002070
    • 1-benzyl 2-butyl benzene-1,2-dicarboxylate
    • S 160
    • WLN: QVR BVO1R
    • 1, butyl phenylmethyl ester
    • 1-Benzyl 2-butyl phthalate
    • SCHEMBL49678
    • BSPBio_002541
    • KBioGR_001261
    • KBioSS_002543
    • MLS002177799
    • Benzyl butyl phthalate, 98%
    • BIDD:ER0643
    • DivK1c_006718
    • SPBio_001789
    • 1,2-Benzenedicarboxylic acid butyl phenylmethyl ester
    • 1-Benzyl 2-butyl phthalate #
    • Benzylbutylester kyseliny ftalove
    • CHEMBL1450327
    • KBio1_001662
    • KBio2_002534
    • KBio2_005102
    • KBio2_007670
    • KBio3_002041
    • MSK1111
    • Benzyl butyl phthalate (Standard)
    • HMS3039O09
    • HY-W011338R
    • NSC71001
    • Phthalic acid, benzylbutyl ester 1000 microg/mL in Cyclohexane
    • TDA95188
    • Tox21_202991
    • Tox21_400057
    • CCG-39615
    • s5822
    • BUTYL BENZYL PHTHALATE [INCI]
    • AKOS015839717
    • phthalic acid benzyl ester butyl ester
    • CS-W012054
    • HY-W011338
    • NCGC00090780-01
    • NCGC00090780-02
    • NCGC00090780-03
    • NCGC00090780-05
    • NCGC00260536-01
    • PHTHALIC ACID, BENZYL BUTYL ETHER
    • Butyl phenylmethyl 1,2-benzenecarboxylate
    • Butyl phenylmethyl 1,2benzenedicarboxylate
    • DA-71400
    • MSK1111-1000
    • SMR001261796
    • NS00009734
    • P0288
    • 1ST1111-1000
    • Butyl phenylmethyl 1,2-benzenedicarboxylic acid
    • Q414809
    • 1,2Benzenedicarboxylic acid, butyl phenylmethyl ester
    • Benzyl butyl phthalate Solution in Hexane, 1000?g/mL
    • BRD-K34359596-001-02-1
    • Benzyl butyl phthalate Solution in Hexane, 1000mug/mL
    • Benzyl butyl phthalate, certified reference material, TraceCERT(R)
    • 27G

  • Applications

    Benzyl butyl phthalate (CAS 85-68-7) is a phthalate plasticizer used to impart flexibility to PVC and other polymers, finding application in flexible vinyl products such as flooring, cables and coatings; it is employed as a plasticizer in adhesives and inks for flexible packaging and labels, and in synthetic leather and other flexible PVC-based upholstery; it may be used as an intermediate in the production of other phthalate plasticizers; and it is occasionally considered for electronics or electrical insulation materials where flexibility and resin compatibility are important; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 362.93
    methanol 591.31
    isopropanol 126.93
    water 0.2
    ethyl acetate 1179.42
    n-propanol 310.62
    acetone 892.28
    n-butanol 224.77
    acetonitrile 920.84
    DMF 2027.48
    toluene 830.7
    isobutanol 159.96
    1,4-dioxane 467.65
    methyl acetate 1146.6
    THF 721.05
    2-butanone 1196.45
    n-pentanol 129.83
    sec-butanol 225.65
    n-hexane 8.81
    ethylene glycol 31.36
    NMP 1330.4
    cyclohexane 26.3
    DMSO 822.7
    n-butyl acetate 380.01
    n-octanol 44.12
    chloroform 2390.2
    n-propyl acetate 424.72
    acetic acid 433.68
    dichloromethane 3509.7
    cyclohexanone 1121.91
    propylene glycol 42.1
    isopropyl acetate 517.37
    DMAc 2566.37
    2-ethoxyethanol 306.32
    isopentanol 189.96
    n-heptane 5.19
    ethyl formate 318.1
    1,2-dichloroethane 2852.12
    n-hexanol 109.28
    2-methoxyethanol 558.71
    isobutyl acetate 204.93
    tetrachloromethane 111.22
    n-pentyl acetate 186.89
    transcutol 905.49
    n-heptanol 56.5
    ethylbenzene 239.44
    MIBK 362.68
    2-propoxyethanol 294.75
    tert-butanol 157.2
    MTBE 329.51
    2-butoxyethanol 169.92
    propionic acid 379.5
    o-xylene 311.38
    formic acid 152.02
    diethyl ether 552.55
    m-xylene 269.55
    p-xylene 252.45
    chlorobenzene 966.41
    dimethyl carbonate 500.23
    n-octane 3.91
    formamide 592.81
    cyclopentanone 1252.47
    2-pentanone 796.98
    anisole 515.91
    cyclopentyl methyl ether 514.48
    gamma-butyrolactone 1265.9
    1-methoxy-2-propanol 325.66
    pyridine 1776.43
    3-pentanone 853.47
    furfural 987.17
    n-dodecane 4.13
    diethylene glycol 157.83
    diisopropyl ether 88.26
    tert-amyl alcohol 223.06
    acetylacetone 893.24
    n-hexadecane 4.92
    acetophenone 555.43
    methyl propionate 1092.62
    isopentyl acetate 321.14
    trichloroethylene 4343.09
    n-nonanol 46.8
    cyclohexanol 235.64
    benzyl alcohol 344.18
    2-ethylhexanol 71.95
    isooctanol 53.5
    dipropyl ether 113.73
    1,2-dichlorobenzene 742.68
    ethyl lactate 134.06
    propylene carbonate 590.6
    n-methylformamide 786.29
    2-pentanol 141.51
    n-pentane 9.34
    1-propoxy-2-propanol 172.23
    1-methoxy-2-propyl acetate 409.67
    2-(2-methoxypropoxy) propanol 176.01
    mesitylene 109.04
    ε-caprolactone 875.32
    p-cymene 63.58
    epichlorohydrin 2216.38
    1,1,1-trichloroethane 1247.85
    2-aminoethanol 118.03
    morpholine-4-carbaldehyde 827.77
    sulfolane 1037.59
    2,2,4-trimethylpentane 9.89
    2-methyltetrahydrofuran 683.48
    n-hexyl acetate 209.72
    isooctane 5.47
    2-(2-butoxyethoxy)ethanol 227.37
    sec-butyl acetate 307.6
    tert-butyl acetate 429.58
    decalin 19.65
    glycerin 68.21
    diglyme 589.88
    acrylic acid 345.07
    isopropyl myristate 73.33
    n-butyric acid 493.72
    acetyl acetate 585.89
    di(2-ethylhexyl) phthalate 74.48
    ethyl propionate 458.53
    nitromethane 1562.4
    1,2-diethoxyethane 369.71
    benzonitrile 504.34
    trioctyl phosphate 42.3
    1-bromopropane 1018.28
    gamma-valerolactone 1284.45
    n-decanol 34.63
    triethyl phosphate 109.07
    4-methyl-2-pentanol 76.83
    propionitrile 728.38
    vinylene carbonate 595.53
    1,1,2-trichlorotrifluoroethane 773.67
    DMS 387.59
    cumene 97.42
    2-octanol 36.63
    2-hexanone 377.65
    octyl acetate 98.52
    limonene 93.59
    1,2-dimethoxyethane 603.42
    ethyl orthosilicate 96.38
    tributyl phosphate 65.16
    diacetone alcohol 368.75
    N,N-dimethylaniline 252.13
    acrylonitrile 1143.37
    aniline 670.82
    1,3-propanediol 170.36
    bromobenzene 1109.13
    dibromomethane 1945.25
    1,1,2,2-tetrachloroethane 2839.82
    2-methyl-cyclohexyl acetate 167.67
    tetrabutyl urea 92.5
    diisobutyl methanol 49.31
    2-phenylethanol 229.12
    styrene 395.32
    dioctyl adipate 121.7
    dimethyl sulfate 646.65
    ethyl butyrate 261.11
    methyl lactate 264.5
    butyl lactate 120.48
    diethyl carbonate 182.04
    propanediol butyl ether 92.56
    triethyl orthoformate 140.15
    p-tert-butyltoluene 56.83
    methyl 4-tert-butylbenzoate 219.32
    morpholine 798.69
    tert-butylamine 85.45
    n-dodecanol 27.23
    dimethoxymethane 998.0
    ethylene carbonate 478.92
    cyrene 195.46
    2-ethoxyethyl acetate 351.37
    2-ethylhexyl acetate 237.2
    1,2,4-trichlorobenzene 835.84
    4-methylpyridine 1642.09
    dibutyl ether 99.19
    2,6-dimethyl-4-heptanol 49.31
    DEF 1240.21
    dimethyl isosorbide 357.62
    tetrachloroethylene 1529.86
    eugenol 203.27
    triacetin 242.4
    span 80 112.44
    1,4-butanediol 51.05
    1,1-dichloroethane 1866.4
    2-methyl-1-pentanol 161.17
    methyl formate 483.15
    2-methyl-1-butanol 236.17
    n-decane 6.21
    butyronitrile 454.53
    3,7-dimethyl-1-octanol 61.7
    1-chlorooctane 48.68
    1-chlorotetradecane 19.32
    n-nonane 5.15
    undecane 4.83
    tert-butylcyclohexane 13.58
    cyclooctane 7.12
    cyclopentanol 198.97
    tetrahydropyran 587.91
    tert-amyl methyl ether 333.82
    2,5,8-trioxanonane 368.43
    1-hexene 84.04
    2-isopropoxyethanol 196.88
    2,2,2-trifluoroethanol 173.37
    methyl butyrate 570.42

    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