1,5-Pentanediol

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  • Identifiers

    CAS number
    111-29-5

    Molecular formula
    C5H12O2

    SMILES
    C(CCO)CCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Alcoholic 56.07%
    Odorless 43.92%
    Sweet 36.09%
    Oily 34.74%
    Ethereal 33.44%
    Solvent 31.42%
    Fermented 29.01%
    Fishy 28.54%
    Fruity 26.77%
    Pungent 23.14%

     

    Flavor
    Sweet 61.14%
    Alcoholic 54.36%
    Bitter 49.46%
    Odorless 40.05%
    Musty 39.89%
    Fusel 38.68%
    Oil 34.77%
    Pungent 33.42%
    Fruit 32.24%
    Alcohol 31.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    8.53 (weak base)

    Molecular weight
    104.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -18 °C

    Boiling point

    • 240 °C

    Flash point

    • 116.61 ˚C est.
    • 129 °C (265 °F) (open cup)
    • 136 °C (277 °F) - closed cup

    Solubility expt.

    • Miscible with water
    • Soluble in water
    • Miscible with methanol, ethanol, acetone, ethyl acetate. Soluble in ether (25 °C) 11% w/w. Limited solubility in benzene, trichloroethylene, methylene chloride, petroleum ether, heptane.
    • Soluble in alcohols, acetone, and relatively insoluble in aliphatic and aromatic hydrocarbons

  • Synonyms

    • 1,5-PENTANEDIOL
    • Pentane-1,5-diol
    • 111-29-5
    • 1,5-Dihydroxypentane
    • Pentamethylene glycol
    • 1,5-Pentamethylene glycol
    • 1,5-Pentylene glycol
    • alpha,omega-Pentanediol
    • 07UXZ0SCST
    • DTXSID2041256
    • NSC-5927
    • DTXCID0021256
    • RefChem:73549
    • 203-854-4
    • 1,5 Pentanediol
    • NSC 5927
    • 1,5-Pentandiol
    • MFCD00002978
    • .alpha.,.omega.-Pentanediol
    • 31784-47-1
    • EINECS 203-854-4
    • UNII-07UXZ0SCST
    • BRN 1560130
    • AI3-03318
    • 1.5-pentanediol
    • 9JE
    • pentan-1,5-diol
    • 1,5-pentane diol
    • .omega.-Pentanediol
    • Pentane diol-1,5
    • EC 203-854-4
    • 1,5-Pentanediol, 96%
    • WLN: Q5Q
    • HO(CH2)5OH
    • SCHEMBL18788
    • 4-01-00-02540 (Beilstein Handbook Reference)
    • SCHEMBL149819
    • SCHEMBL329265
    • SCHEMBL471953
    • SCHEMBL596095
    • CHEMBL448289
    • SCHEMBL4133064
    • SCHEMBL5599721
    • 1,5-PENTANEDIOL [MI]
    • SCHEMBL15751096
    • HSDB 6807
    • NSC5927
    • CHEBI:185431
    • UYB80442
    • Tox21_300880
    • AKOS009158215
    • CS-W020635
    • FP47128
    • MSK182090-100M
    • NCGC00248201-01
    • NCGC00254784-01
    • BP-30035
    • CAS-111-29-5
    • NS00002858
    • P0050
    • 1,5-Pentanediol, purum, >=95.0% (GC)
    • 1,5-Pentanediol, purum, >=97.0% (GC)
    • D77911
    • EN300-122591
    • H-1745
    • 1,5-Pentanediol Solution in Methanol, 100ug/mL
    • 1,5-Pentanediol, Vetec(TM) reagent grade, 96%
    • F240419
    • Q161557
    • F0001-0238
    • InChI=1/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H
    • 111-29-5

  • Applications

    1,5-Pentanediol (CAS 111-29-5) is primarily used as an industrial intermediate and processing aid. In polymers, it acts as a diol monomer/chain extender for polyurethanes and polyesters, improving flexibility and processing characteristics. It also serves as a solvent or co-solvent and, in some formulations, as a plasticizer for certain polymer systems such as coatings and adhesives. In cosmetics and personal care, it functions as a humectant and solvent, helping to maintain product texture and moisture. Additionally, it is employed as an industrial processing aid and ingredient in cleaning and household formulations, subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 517.73
    methanol 881.17
    isopropanol 331.92
    water 27.13
    ethyl acetate 50.96
    n-propanol 385.77
    acetone 103.03
    n-butanol 330.29
    acetonitrile 65.54
    DMF 337.9
    toluene 7.18
    isobutanol 204.13
    1,4-dioxane 216.28
    methyl acetate 51.79
    THF 361.09
    2-butanone 59.55
    n-pentanol 126.61
    sec-butanol 196.13
    n-hexane 10.05
    ethylene glycol 349.07
    NMP 349.21
    cyclohexane 21.54
    DMSO 564.96
    n-butyl acetate 63.38
    n-octanol 66.05
    chloroform 118.29
    n-propyl acetate 42.4
    acetic acid 481.79
    dichloromethane 120.86
    cyclohexanone 187.56
    propylene glycol 311.79
    isopropyl acetate 28.79
    DMAc 125.67
    2-ethoxyethanol 179.86
    isopentanol 146.83
    n-heptane 23.5
    ethyl formate 88.79
    1,2-dichloroethane 73.09
    n-hexanol 156.26
    2-methoxyethanol 479.23
    isobutyl acetate 26.61
    tetrachloromethane 30.4
    n-pentyl acetate 44.94
    transcutol 309.64
    n-heptanol 81.88
    ethylbenzene 6.59
    MIBK 27.36
    2-propoxyethanol 216.64
    tert-butanol 224.24
    MTBE 39.95
    2-butoxyethanol 140.84
    propionic acid 314.64
    o-xylene 9.48
    formic acid 348.73
    diethyl ether 54.44
    m-xylene 7.65
    p-xylene 8.98
    chlorobenzene 24.79
    dimethyl carbonate 23.11
    n-octane 7.04
    formamide 275.85
    cyclopentanone 232.89
    2-pentanone 53.92
    anisole 24.23
    cyclopentyl methyl ether 95.95
    gamma-butyrolactone 317.24
    1-methoxy-2-propanol 265.68
    pyridine 93.47
    3-pentanone 35.5
    furfural 245.05
    n-dodecane 5.03
    diethylene glycol 239.97
    diisopropyl ether 12.93
    tert-amyl alcohol 134.84
    acetylacetone 52.14
    n-hexadecane 5.34
    acetophenone 32.41
    methyl propionate 55.29
    isopentyl acetate 46.8
    trichloroethylene 108.48
    n-nonanol 55.63
    cyclohexanol 201.63
    benzyl alcohol 46.95
    2-ethylhexanol 71.79
    isooctanol 55.28
    dipropyl ether 63.91
    1,2-dichlorobenzene 28.67
    ethyl lactate 52.07
    propylene carbonate 144.95
    n-methylformamide 282.82
    2-pentanol 125.66
    n-pentane 14.02
    1-propoxy-2-propanol 159.29
    1-methoxy-2-propyl acetate 54.78
    2-(2-methoxypropoxy) propanol 86.02
    mesitylene 7.72
    ε-caprolactone 164.26
    p-cymene 14.98
    epichlorohydrin 170.55
    1,1,1-trichloroethane 37.68
    2-aminoethanol 466.38
    morpholine-4-carbaldehyde 273.42
    sulfolane 448.14
    2,2,4-trimethylpentane 6.14
    2-methyltetrahydrofuran 165.97
    n-hexyl acetate 58.99
    isooctane 4.77
    2-(2-butoxyethoxy)ethanol 138.66
    sec-butyl acetate 22.02
    tert-butyl acetate 32.21
    decalin 7.1
    glycerin 424.91
    diglyme 208.27
    acrylic acid 293.93
    isopropyl myristate 27.46
    n-butyric acid 314.5
    acetyl acetate 32.98
    di(2-ethylhexyl) phthalate 36.22
    ethyl propionate 33.58
    nitromethane 271.96
    1,2-diethoxyethane 60.52
    benzonitrile 46.77
    trioctyl phosphate 36.18
    1-bromopropane 42.14
    gamma-valerolactone 301.1
    n-decanol 41.31
    triethyl phosphate 31.88
    4-methyl-2-pentanol 46.84
    propionitrile 78.81
    vinylene carbonate 127.55
    1,1,2-trichlorotrifluoroethane 229.97
    DMS 38.4
    cumene 7.99
    2-octanol 43.34
    2-hexanone 38.75
    octyl acetate 38.02
    limonene 26.55
    1,2-dimethoxyethane 163.32
    ethyl orthosilicate 30.29
    tributyl phosphate 36.51
    diacetone alcohol 76.51
    N,N-dimethylaniline 22.99
    acrylonitrile 106.89
    aniline 46.02
    1,3-propanediol 499.76
    bromobenzene 16.11
    dibromomethane 73.4
    1,1,2,2-tetrachloroethane 108.88
    2-methyl-cyclohexyl acetate 46.21
    tetrabutyl urea 52.8
    diisobutyl methanol 37.33
    2-phenylethanol 51.28
    styrene 8.38
    dioctyl adipate 48.26
    dimethyl sulfate 55.08
    ethyl butyrate 52.1
    methyl lactate 85.14
    butyl lactate 68.57
    diethyl carbonate 33.27
    propanediol butyl ether 135.33
    triethyl orthoformate 46.37
    p-tert-butyltoluene 15.0
    methyl 4-tert-butylbenzoate 57.31
    morpholine 295.24
    tert-butylamine 121.6
    n-dodecanol 32.32
    dimethoxymethane 100.73
    ethylene carbonate 106.7
    cyrene 96.13
    2-ethoxyethyl acetate 47.63
    2-ethylhexyl acetate 35.66
    1,2,4-trichlorobenzene 36.17
    4-methylpyridine 52.57
    dibutyl ether 42.19
    2,6-dimethyl-4-heptanol 37.33
    DEF 100.85
    dimethyl isosorbide 121.0
    tetrachloroethylene 93.02
    eugenol 71.75
    triacetin 61.65
    span 80 122.35
    1,4-butanediol 158.55
    1,1-dichloroethane 45.71
    2-methyl-1-pentanol 65.92
    methyl formate 130.83
    2-methyl-1-butanol 139.07
    n-decane 8.01
    butyronitrile 91.88
    3,7-dimethyl-1-octanol 48.52
    1-chlorooctane 24.94
    1-chlorotetradecane 11.06
    n-nonane 7.95
    undecane 5.97
    tert-butylcyclohexane 6.61
    cyclooctane 6.71
    cyclopentanol 323.48
    tetrahydropyran 184.25
    tert-amyl methyl ether 34.33
    2,5,8-trioxanonane 154.8
    1-hexene 22.09
    2-isopropoxyethanol 95.87
    2,2,2-trifluoroethanol 151.36
    methyl butyrate 58.84

    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