1,3-Pentanediol

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  • Identifiers

    CAS number
    3174-67-2

    Molecular formula
    C5H12O2

    SMILES
    CCC(CCO)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 49.09%
    Alcoholic 46.42%
    Odorless 44.68%
    Oily 36.82%
    Fermented 34.37%
    Sweet 33.2%
    Ethereal 32.67%
    Solvent 29.57%
    Pungent 25.21%
    Musty 25.19%

     

    Flavor
    Bitter 60.11%
    Alcoholic 47.72%
    Odorless 43.05%
    Sweet 39.25%
    Musty 32.14%
    Fusel 32.0%
    Pungent 28.25%
    Alcohol 27.5%
    Fruit 26.96%
    Very slight 26.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    8.61 (weak base)

    Molecular weight
    104.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    216°C

    Flash point

    • 96.5 ˚C est.

  • Synonyms

    • 1,3-Pentanediol
    • pentane-1,3-diol
    • 3174-67-2
    • YAJ73A2WR0
    • HYDROLITE S
    • DTXSID50953678
    • RefChem:72903
    • DTXCID00930651
    • 608-665-4
    • MFCD01709303
    • BRN 1732200
    • 1,3-pentane diol
    • rac-1,3-pentanediol
    • UNII-YAJ73A2WR0
    • SCHEMBL18718
    • SCHEMBL66179
    • 4-01-00-02538 (Beilstein Handbook Reference)
    • 3-HYDROXY-1-PENTANOL
    • SCHEMBL312256
    • SCHEMBL995985
    • SCHEMBL1877700
    • SCHEMBL2882491
    • SCHEMBL3386161
    • SCHEMBL3388545
    • SCHEMBL6435094
    • AKOS006280152
    • CS-0224666
    • EN300-120402
    • G65189
    • Z1198157972
    • 3174-67-2

  • Applications

    1,3-Pentanediol is a versatile diol used as a solvent and processing aid in industrial manufacturing, a co-solvent in coatings and inks, and a solvent in cleaning formulations. In cosmetics and personal care, it functions as a humectant and solvent, helping to retain moisture and dissolve ingredients. It also serves as a building block for polyester and polyether resins and can act as a plasticizer in certain polymer systems. In pharmaceutical and agrochemical synthesis, it is commonly used as an intermediate for downstream transformations. It may also be evaluated for fragrance and flavor applications where its solvency and humectant properties can be advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 767.67
    methanol 1391.69
    isopropanol 608.65
    water 91.02
    ethyl acetate 88.66
    n-propanol 586.9
    acetone 199.9
    n-butanol 473.43
    acetonitrile 130.03
    DMF 456.23
    toluene 11.47
    isobutanol 379.62
    1,4-dioxane 306.82
    methyl acetate 102.08
    THF 530.46
    2-butanone 114.91
    n-pentanol 232.07
    sec-butanol 370.08
    n-hexane 12.56
    ethylene glycol 581.53
    NMP 362.46
    cyclohexane 14.53
    DMSO 742.5
    n-butyl acetate 91.17
    n-octanol 99.06
    chloroform 121.86
    n-propyl acetate 66.91
    acetic acid 686.74
    dichloromethane 83.34
    cyclohexanone 214.16
    propylene glycol 550.06
    isopropyl acetate 56.19
    DMAc 222.9
    2-ethoxyethanol 323.03
    isopentanol 294.71
    n-heptane 19.25
    ethyl formate 114.4
    1,2-dichloroethane 57.15
    n-hexanol 290.07
    2-methoxyethanol 683.97
    isobutyl acetate 47.83
    tetrachloromethane 44.27
    n-pentyl acetate 55.81
    transcutol 435.58
    n-heptanol 124.26
    ethylbenzene 9.57
    MIBK 69.94
    2-propoxyethanol 403.16
    tert-butanol 579.77
    MTBE 127.59
    2-butoxyethanol 206.68
    propionic acid 426.73
    o-xylene 16.13
    formic acid 556.62
    diethyl ether 80.58
    m-xylene 16.73
    p-xylene 14.5
    chlorobenzene 29.58
    dimethyl carbonate 29.15
    n-octane 6.18
    formamide 348.65
    cyclopentanone 291.82
    2-pentanone 106.06
    anisole 41.68
    cyclopentyl methyl ether 145.83
    gamma-butyrolactone 344.74
    1-methoxy-2-propanol 430.05
    pyridine 93.79
    3-pentanone 53.97
    furfural 257.77
    n-dodecane 4.98
    diethylene glycol 460.05
    diisopropyl ether 26.34
    tert-amyl alcohol 320.68
    acetylacetone 101.76
    n-hexadecane 5.19
    acetophenone 47.83
    methyl propionate 76.52
    isopentyl acetate 76.98
    trichloroethylene 106.49
    n-nonanol 77.55
    cyclohexanol 244.99
    benzyl alcohol 78.42
    2-ethylhexanol 118.95
    isooctanol 92.42
    dipropyl ether 77.57
    1,2-dichlorobenzene 32.33
    ethyl lactate 70.68
    propylene carbonate 146.02
    n-methylformamide 364.48
    2-pentanol 220.1
    n-pentane 13.55
    1-propoxy-2-propanol 283.63
    1-methoxy-2-propyl acetate 92.06
    2-(2-methoxypropoxy) propanol 138.36
    mesitylene 15.67
    ε-caprolactone 173.84
    p-cymene 19.79
    epichlorohydrin 212.66
    1,1,1-trichloroethane 56.15
    2-aminoethanol 781.79
    morpholine-4-carbaldehyde 330.68
    sulfolane 431.27
    2,2,4-trimethylpentane 10.61
    2-methyltetrahydrofuran 274.41
    n-hexyl acetate 80.7
    isooctane 9.62
    2-(2-butoxyethoxy)ethanol 197.8
    sec-butyl acetate 38.3
    tert-butyl acetate 69.52
    decalin 8.25
    glycerin 684.24
    diglyme 295.4
    acrylic acid 369.64
    isopropyl myristate 32.28
    n-butyric acid 409.96
    acetyl acetate 55.12
    di(2-ethylhexyl) phthalate 46.62
    ethyl propionate 45.54
    nitromethane 391.93
    1,2-diethoxyethane 84.34
    benzonitrile 66.08
    trioctyl phosphate 41.69
    1-bromopropane 38.24
    gamma-valerolactone 346.66
    n-decanol 55.31
    triethyl phosphate 35.19
    4-methyl-2-pentanol 107.99
    propionitrile 122.28
    vinylene carbonate 119.92
    1,1,2-trichlorotrifluoroethane 283.12
    DMS 45.36
    cumene 13.13
    2-octanol 65.19
    2-hexanone 78.13
    octyl acetate 44.7
    limonene 35.94
    1,2-dimethoxyethane 285.41
    ethyl orthosilicate 35.24
    tributyl phosphate 41.88
    diacetone alcohol 173.03
    N,N-dimethylaniline 35.8
    acrylonitrile 153.52
    aniline 66.76
    1,3-propanediol 713.94
    bromobenzene 19.41
    dibromomethane 54.92
    1,1,2,2-tetrachloroethane 108.78
    2-methyl-cyclohexyl acetate 58.62
    tetrabutyl urea 56.48
    diisobutyl methanol 59.14
    2-phenylethanol 88.0
    styrene 11.36
    dioctyl adipate 51.05
    dimethyl sulfate 69.85
    ethyl butyrate 61.38
    methyl lactate 122.23
    butyl lactate 81.0
    diethyl carbonate 36.09
    propanediol butyl ether 214.03
    triethyl orthoformate 50.87
    p-tert-butyltoluene 21.18
    methyl 4-tert-butylbenzoate 76.21
    morpholine 411.7
    tert-butylamine 276.0
    n-dodecanol 41.19
    dimethoxymethane 147.29
    ethylene carbonate 101.71
    cyrene 131.33
    2-ethoxyethyl acetate 62.38
    2-ethylhexyl acetate 54.0
    1,2,4-trichlorobenzene 40.89
    4-methylpyridine 76.12
    dibutyl ether 45.42
    2,6-dimethyl-4-heptanol 59.14
    DEF 131.65
    dimethyl isosorbide 173.71
    tetrachloroethylene 96.87
    eugenol 95.53
    triacetin 74.37
    span 80 150.19
    1,4-butanediol 302.15
    1,1-dichloroethane 57.91
    2-methyl-1-pentanol 157.9
    methyl formate 177.87
    2-methyl-1-butanol 269.26
    n-decane 8.2
    butyronitrile 148.57
    3,7-dimethyl-1-octanol 82.15
    1-chlorooctane 27.44
    1-chlorotetradecane 11.65
    n-nonane 8.08
    undecane 6.11
    tert-butylcyclohexane 10.33
    cyclooctane 5.59
    cyclopentanol 410.5
    tetrahydropyran 227.19
    tert-amyl methyl ether 83.88
    2,5,8-trioxanonane 217.4
    1-hexene 32.73
    2-isopropoxyethanol 194.33
    2,2,2-trifluoroethanol 225.16
    methyl butyrate 79.14

    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