1,3-Butylene glycol dibenzoate

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  • Identifiers

    CAS number
    2867-65-4

    Molecular formula
    C18H18O4

    SMILES
    CC(CCOC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

  • Odor profile

    Balsamic 71.79%
    Floral 53.77%
    Herbal 51.45%
    Fruity 47.91%
    Green 45.61%
    Sweet 34.42%
    Spicy 29.52%
    Odorless 27.17%
    Honey 26.36%
    Rose 25.87%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    298.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    394°C

    Flash point est.
    181.88 ˚C

  • Synonyms

    • 1,3-Butylene glycol dibenzoate
    • 1,3-Butanediol, dibenzoate
    • NSC-141825
    • 1,3-Butanediol, 1,3-dibenzoate
    • 04K15F123F
    • 2867-65-4
    • UNII-04K15F123F
    • 1,3-Butanediol,1,3-dibenzoate
    • NSC141825
    • 1,3-butanediol-dibenzoate
    • SCHEMBL227465
    • DS-008315
    • Q27247654

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.76
    methanol 96.51
    isopropanol 53.07
    water 0.15
    ethyl acetate 200.7
    n-propanol 75.53
    acetone 473.83
    n-butanol 66.22
    acetonitrile 259.88
    DMF 483.16
    toluene 141.92
    isobutanol 53.75
    1,4-dioxane 319.28
    methyl acetate 233.84
    THF 592.35
    2-butanone 324.94
    n-pentanol 63.15
    sec-butanol 79.79
    n-hexane 5.76
    ethylene glycol 9.11
    NMP 418.03
    cyclohexane 17.23
    DMSO 485.39
    n-butyl acetate 119.3
    n-octanol 39.26
    chloroform 1071.94
    n-propyl acetate 143.12
    acetic acid 184.61
    dichloromethane 1224.21
    cyclohexanone 484.1
    propylene glycol 19.02
    isopropyl acetate 104.34
    DMAc 565.77
    2-ethoxyethanol 114.57
    isopentanol 56.83
    n-heptane 4.28
    ethyl formate 151.64
    1,2-dichloroethane 789.98
    n-hexanol 46.7
    2-methoxyethanol 158.51
    isobutyl acetate 77.18
    tetrachloromethane 43.74
    n-pentyl acetate 85.36
    transcutol 365.82
    n-heptanol 34.93
    ethylbenzene 70.0
    MIBK 111.12
    2-propoxyethanol 103.6
    tert-butanol 66.52
    MTBE 74.64
    2-butoxyethanol 80.97
    propionic acid 125.76
    o-xylene 69.35
    formic acid 49.35
    diethyl ether 132.94
    m-xylene 58.65
    p-xylene 92.99
    chlorobenzene 269.86
    dimethyl carbonate 109.74
    n-octane 3.72
    formamide 145.36
    cyclopentanone 597.07
    2-pentanone 227.51
    anisole 149.54
    cyclopentyl methyl ether 166.0
    gamma-butyrolactone 573.24
    1-methoxy-2-propanol 116.15
    pyridine 513.75
    3-pentanone 192.55
    furfural 425.92
    n-dodecane 4.32
    diethylene glycol 68.55
    diisopropyl ether 24.7
    tert-amyl alcohol 75.59
    acetylacetone 253.22
    n-hexadecane 5.06
    acetophenone 174.17
    methyl propionate 181.69
    isopentyl acetate 92.33
    trichloroethylene 1305.24
    n-nonanol 38.44
    cyclohexanol 111.51
    benzyl alcohol 120.1
    2-ethylhexanol 36.5
    isooctanol 31.17
    dipropyl ether 54.06
    1,2-dichlorobenzene 217.52
    ethyl lactate 67.59
    propylene carbonate 262.3
    n-methylformamide 198.94
    2-pentanol 44.77
    n-pentane 3.77
    1-propoxy-2-propanol 76.04
    1-methoxy-2-propyl acetate 111.91
    2-(2-methoxypropoxy) propanol 92.39
    mesitylene 32.74
    ε-caprolactone 310.74
    p-cymene 30.45
    epichlorohydrin 691.74
    1,1,1-trichloroethane 333.13
    2-aminoethanol 27.35
    morpholine-4-carbaldehyde 299.28
    sulfolane 557.01
    2,2,4-trimethylpentane 4.64
    2-methyltetrahydrofuran 290.04
    n-hexyl acetate 108.44
    isooctane 2.63
    2-(2-butoxyethoxy)ethanol 118.2
    sec-butyl acetate 81.2
    tert-butyl acetate 101.31
    decalin 11.45
    glycerin 31.71
    diglyme 269.63
    acrylic acid 125.99
    isopropyl myristate 42.89
    n-butyric acid 163.88
    acetyl acetate 130.05
    di(2-ethylhexyl) phthalate 46.82
    ethyl propionate 128.63
    nitromethane 465.58
    1,2-diethoxyethane 120.31
    benzonitrile 179.45
    trioctyl phosphate 32.19
    1-bromopropane 264.53
    gamma-valerolactone 521.22
    n-decanol 29.25
    triethyl phosphate 57.35
    4-methyl-2-pentanol 28.27
    propionitrile 176.85
    vinylene carbonate 260.52
    1,1,2-trichlorotrifluoroethane 277.45
    DMS 122.93
    cumene 39.7
    2-octanol 28.02
    2-hexanone 148.1
    octyl acetate 55.51
    limonene 41.46
    1,2-dimethoxyethane 263.98
    ethyl orthosilicate 49.86
    tributyl phosphate 43.22
    diacetone alcohol 117.59
    N,N-dimethylaniline 84.65
    acrylonitrile 260.9
    aniline 141.7
    1,3-propanediol 52.37
    bromobenzene 278.26
    dibromomethane 727.64
    1,1,2,2-tetrachloroethane 860.99
    2-methyl-cyclohexyl acetate 81.07
    tetrabutyl urea 59.53
    diisobutyl methanol 25.13
    2-phenylethanol 84.76
    styrene 105.06
    dioctyl adipate 75.83
    dimethyl sulfate 173.85
    ethyl butyrate 101.08
    methyl lactate 83.83
    butyl lactate 69.3
    diethyl carbonate 77.23
    propanediol butyl ether 71.91
    triethyl orthoformate 71.98
    p-tert-butyltoluene 26.14
    methyl 4-tert-butylbenzoate 110.72
    morpholine 312.84
    tert-butylamine 36.38
    n-dodecanol 22.94
    dimethoxymethane 244.4
    ethylene carbonate 207.11
    cyrene 121.86
    2-ethoxyethyl acetate 120.59
    2-ethylhexyl acetate 75.62
    1,2,4-trichlorobenzene 238.52
    4-methylpyridine 379.89
    dibutyl ether 63.06
    2,6-dimethyl-4-heptanol 25.13
    DEF 236.14
    dimethyl isosorbide 167.64
    tetrachloroethylene 465.44
    eugenol 100.11
    triacetin 136.34
    span 80 76.74
    1,4-butanediol 26.86
    1,1-dichloroethane 526.78
    2-methyl-1-pentanol 60.37
    methyl formate 181.29
    2-methyl-1-butanol 61.98
    n-decane 7.01
    butyronitrile 161.1
    3,7-dimethyl-1-octanol 35.45
    1-chlorooctane 37.92
    1-chlorotetradecane 14.84
    n-nonane 6.16
    undecane 5.36
    tert-butylcyclohexane 7.9
    cyclooctane 4.04
    cyclopentanol 125.72
    tetrahydropyran 327.27
    tert-amyl methyl ether 68.09
    2,5,8-trioxanonane 178.67
    1-hexene 42.68
    2-isopropoxyethanol 81.8
    2,2,2-trifluoroethanol 73.25
    methyl butyrate 181.83

    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