(-)-1,3-Butanediol

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  • Identifiers

    CAS number
    6290-03-5

    Molecular formula
    C4H10O2

    SMILES
    C[C@H](CCO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 52.36%
    Alcoholic 51.36%
    Fruity 38.62%
    Ethereal 34.94%
    Fermented 30.81%
    Oily 28.78%
    Solvent 28.56%
    Sweet 27.51%
    Pungent 26.87%
    Winey 21.81%

     

    Flavor
    Bitter 66.93%
    Alcoholic 47.9%
    Odorless 47.16%
    Musty 32.77%
    Fusel 31.08%
    Sweet 30.39%
    Fruit 29.4%
    Alcohol 28.73%
    Pungent 28.47%
    Very slight 26.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    8.29 (weak base)

    Molecular weight
    90.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    205°C

    Flash point

    • 98.02 ˚C est.

  • Synonyms

    • 6290-03-5
    • 1,3-Butanediol, (3R)-
    • RefChem:407056
    • (-)-1,3-Butanediol
    • GlyTouCan:G75074LG
    • G75074LG
    • (R)-butane-1,3-diol
    • (R)-(-)-1,3-Butanediol
    • (3R)-butane-1,3-diol
    • (R)-1,3-butanediol
    • (R)-(-)-Butane-1,3-diol
    • (R)-(-)-1,3-Butylene Glycol
    • MFCD00064277
    • (R)?-?(-?)?-?1,?3-?Butanediol
    • 1,3-Butanediol, (R)-
    • BU4
    • 1,3-Butanediol #
    • 1,3-(R)-butanediol
    • SCHEMBL222874
    • (R)-(-)-1,3-butandiol
    • orb1706087
    • SCHEMBL2380243
    • SCHEMBL3048735
    • SCHEMBL28104703
    • CHEBI:52687
    • (R)-(-)-1,3-Dihydroxybutane
    • DTXSID001016432
    • CS-M1638
    • EINECS 228-532-0
    • AKOS005146047
    • AKOS015838959
    • AC-5640
    • EBC-252087
    • FB01770
    • (R)-(-)-1,3-Butanediol, 98%
    • AS-11116
    • HY-77490
    • SY049450
    • B1159
    • NS00080628
    • O10183
    • EN300-7206273
    • 290B035
    • F041923
    • Q27123551
    • 6290-03-5

  • Applications

    (-)-1,3-Butanediol (CAS 6290-03-5) is used as a chiral building block and intermediate in pharmaceutical and agrochemical synthesis; it serves as a diol monomer or comonomer for polyurethanes and polyesters; it functions as a processing solvent or carrier in coatings, inks, and cleaning formulations; it can act as a humectant and solvent in cosmetics and personal care products; and it is sometimes evaluated for fragrance applications as a solvent or carrier for aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 768.54
    methanol 1515.64
    isopropanol 415.94
    water 699.16
    ethyl acetate 60.28
    n-propanol 490.76
    acetone 179.6
    n-butanol 340.02
    acetonitrile 104.53
    DMF 526.54
    toluene 3.87
    isobutanol 260.05
    1,4-dioxane 234.43
    methyl acetate 80.9
    THF 399.69
    2-butanone 86.47
    n-pentanol 146.61
    sec-butanol 261.49
    n-hexane 6.68
    ethylene glycol 906.6
    NMP 404.93
    cyclohexane 9.25
    DMSO 529.74
    n-butyl acetate 51.05
    n-octanol 72.36
    chloroform 32.14
    n-propyl acetate 40.64
    acetic acid 1346.52
    dichloromethane 27.6
    cyclohexanone 147.58
    propylene glycol 764.09
    isopropyl acetate 33.37
    DMAc 271.84
    2-ethoxyethanol 310.52
    isopentanol 174.85
    n-heptane 12.61
    ethyl formate 87.74
    1,2-dichloroethane 21.44
    n-hexanol 170.21
    2-methoxyethanol 721.33
    isobutyl acetate 27.38
    tetrachloromethane 17.04
    n-pentyl acetate 35.6
    transcutol 491.07
    n-heptanol 80.62
    ethylbenzene 2.81
    MIBK 40.03
    2-propoxyethanol 310.88
    tert-butanol 359.86
    MTBE 59.09
    2-butoxyethanol 167.24
    propionic acid 493.53
    o-xylene 6.28
    formic acid 1352.63
    diethyl ether 49.27
    m-xylene 6.16
    p-xylene 4.74
    chlorobenzene 9.09
    dimethyl carbonate 25.85
    n-octane 3.49
    formamide 759.87
    cyclopentanone 219.58
    2-pentanone 69.67
    anisole 19.81
    cyclopentyl methyl ether 97.72
    gamma-butyrolactone 272.84
    1-methoxy-2-propanol 382.01
    pyridine 46.59
    3-pentanone 41.05
    furfural 201.06
    n-dodecane 2.77
    diethylene glycol 457.17
    diisopropyl ether 15.1
    tert-amyl alcohol 218.78
    acetylacetone 73.29
    n-hexadecane 2.88
    acetophenone 25.61
    methyl propionate 65.1
    isopentyl acetate 38.94
    trichloroethylene 38.38
    n-nonanol 57.65
    cyclohexanol 189.67
    benzyl alcohol 43.91
    2-ethylhexanol 65.36
    isooctanol 53.93
    dipropyl ether 48.98
    1,2-dichlorobenzene 10.8
    ethyl lactate 53.73
    propylene carbonate 104.05
    n-methylformamide 423.3
    2-pentanol 138.02
    n-pentane 8.44
    1-propoxy-2-propanol 201.9
    1-methoxy-2-propyl acetate 60.2
    2-(2-methoxypropoxy) propanol 127.89
    mesitylene 5.99
    ε-caprolactone 133.37
    p-cymene 8.59
    epichlorohydrin 134.19
    1,1,1-trichloroethane 18.35
    2-aminoethanol 958.7
    morpholine-4-carbaldehyde 356.77
    sulfolane 322.0
    2,2,4-trimethylpentane 5.08
    2-methyltetrahydrofuran 180.94
    n-hexyl acetate 55.98
    isooctane 4.23
    2-(2-butoxyethoxy)ethanol 191.97
    sec-butyl acetate 21.1
    tert-butyl acetate 40.95
    decalin 3.48
    glycerin 1001.79
    diglyme 248.31
    acrylic acid 470.45
    isopropyl myristate 21.24
    n-butyric acid 358.31
    acetyl acetate 42.24
    di(2-ethylhexyl) phthalate 35.5
    ethyl propionate 29.58
    nitromethane 541.79
    1,2-diethoxyethane 60.2
    benzonitrile 28.35
    trioctyl phosphate 29.2
    1-bromopropane 11.87
    gamma-valerolactone 301.34
    n-decanol 40.78
    triethyl phosphate 22.55
    4-methyl-2-pentanol 59.45
    propionitrile 73.94
    vinylene carbonate 84.33
    1,1,2-trichlorotrifluoroethane 250.72
    DMS 35.04
    cumene 4.53
    2-octanol 40.58
    2-hexanone 47.55
    octyl acetate 33.86
    limonene 17.24
    1,2-dimethoxyethane 222.25
    ethyl orthosilicate 22.57
    tributyl phosphate 30.77
    diacetone alcohol 120.9
    N,N-dimethylaniline 19.05
    acrylonitrile 88.92
    aniline 33.26
    1,3-propanediol 803.93
    bromobenzene 4.59
    dibromomethane 16.53
    1,1,2,2-tetrachloroethane 40.37
    2-methyl-cyclohexyl acetate 37.74
    tetrabutyl urea 42.9
    diisobutyl methanol 30.85
    2-phenylethanol 48.57
    styrene 3.41
    dioctyl adipate 40.65
    dimethyl sulfate 56.23
    ethyl butyrate 35.83
    methyl lactate 113.28
    butyl lactate 61.45
    diethyl carbonate 21.78
    propanediol butyl ether 195.74
    triethyl orthoformate 31.86
    p-tert-butyltoluene 9.68
    methyl 4-tert-butylbenzoate 55.64
    morpholine 360.08
    tert-butylamine 147.63
    n-dodecanol 29.59
    dimethoxymethane 131.93
    ethylene carbonate 73.24
    cyrene 119.74
    2-ethoxyethyl acetate 47.74
    2-ethylhexyl acetate 27.76
    1,2,4-trichlorobenzene 15.81
    4-methylpyridine 30.73
    dibutyl ether 29.23
    2,6-dimethyl-4-heptanol 30.85
    DEF 113.21
    dimethyl isosorbide 150.85
    tetrachloroethylene 42.09
    eugenol 73.3
    triacetin 65.73
    span 80 148.09
    1,4-butanediol 317.84
    1,1-dichloroethane 15.23
    2-methyl-1-pentanol 86.17
    methyl formate 198.72
    2-methyl-1-butanol 178.57
    n-decane 4.64
    butyronitrile 70.35
    3,7-dimethyl-1-octanol 54.4
    1-chlorooctane 14.54
    1-chlorotetradecane 6.36
    n-nonane 4.49
    undecane 3.41
    tert-butylcyclohexane 4.37
    cyclooctane 3.29
    cyclopentanol 352.57
    tetrahydropyran 134.75
    tert-amyl methyl ether 46.26
    2,5,8-trioxanonane 204.3
    1-hexene 13.14
    2-isopropoxyethanol 163.22
    2,2,2-trifluoroethanol 422.08
    methyl butyrate 49.56

    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