1,3-Propanediol

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  • Identifiers

    CAS number
    504-63-2

    Molecular formula
    C3H8O2

    SMILES
    C(CO)CO

    Safety labels

  • Odor profile

    Fragrance
    Alcoholic 56.86%
    Odorless 49.48%
    Ethereal 40.31%
    Sweet 36.91%
    Solvent 32.5%
    Fermented 32.45%
    Fruity 29.45%
    Oily 27.1%
    Pungent 25.92%
    Sharp 21.41%

     

    Flavor
    Sweet 60.41%
    Alcoholic 58.55%
    Bitter 57.73%
    Odorless 47.47%
    Musty 37.87%
    Pungent 37.45%
    Fusel 35.66%
    Alcohol 31.34%
    Fruit 28.97%
    Vanilla 28.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    8.47 (weak base)

    Molecular weight
    76.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 210-212 °C

    Flash point

    • 107.64 ˚C est.
    • Flash Point: 174 °F/ 345 °C /closed cup/

    Solubility expt.

    • Miscible with water
    • Very soluble in ethyl ether; slightly soluble in benzene
    • Miscible with alcohol

  • Synonyms

    • 1,3-PROPANEDIOL
    • Propane-1,3-diol
    • 504-63-2
    • Trimethylene glycol
    • 1,3-Dihydroxypropane
    • 1,3-Propylene glycol
    • 2-Deoxyglycerol
    • 1,3-Propylenediol
    • beta-Propylene glycol
    • 2-(Hydroxymethyl)ethanol
    • omega-Propanediol
    • DTXSID8041246
    • 5965N8W85T
    • DTXCID6021246
    • CHEBI:16109
    • RefChem:906914
    • GlyTouCan:G36565LB
    • G36565LB
    • 207-997-3
    • 1,3-PROPANDIOL
    • .beta.-Propylene glycol
    • MFCD00002949
    • NSC 65426
    • .omega.-Propanediol
    • AI3-01851
    • HOCH2CH2CH2OH
    • HO(CH2)3OH
    • PDO
    • 31714-45-1
    • 345260-48-2
    • EINECS 207-997-3
    • BRN 0969155
    • UNII-5965N8W85T
    • 3-hydroxypropanol
    • 1,3 propanediol
    • 1.3-propanediol
    • propane-1,3diol
    • propane1,3-diol
    • propane1.3-diol
    • 1,3 propandiol
    • propan-1,3-diol
    • 1,3 -propanediol
    • 1,3- propanediol
    • 1,3-propane diol
    • 1,3-propane-diol
    • propane 1,3-diol
    • propane 1.3-diol
    • propane diol-1,3
    • propane-1-3-diol
    • propane-1.3-diol
    • Trimethylene glycol;
    • 1,3-propyleneglycol
    • propane-1, 3-diol
    • propanediol-(1,3)
    • bmse000303
    • EC 207-997-3
    • 1,3-Propanediol, 98%
    • SCHEMBL15135
    • SCHEMBL74393
    • SCHEMBL95369
    • SCHEMBL96504
    • 1,3-Propanediol (Standard)
    • (HOCH2)2CH2
    • CH2(CH2OH)2
    • SCHEMBL105133
    • SCHEMBL465048
    • SCHEMBL702020
    • CHEMBL379652
    • orb1303220
    • SCHEMBL4723167
    • SCHEMBL6818842
    • SCHEMBL18154859
    • SCHEMBL27465327
    • TRIMETHYLENE GLYCOL [MI]
    • HSDB 8263
    • 1,3-Propanediol, >=99.6%
    • BB_SC-12780
    • HY-W017758R
    • JLA47477
    • NSC65426
    • Tox21_300750
    • EBC-47518
    • STL282728
    • AKOS000269061
    • CS-W018490
    • DB02774
    • FP33131
    • HY-W017758
    • MSK000552-1000A
    • NCGC00248157-01
    • NCGC00254655-01
    • BP-30193
    • CAS-504-63-2
    • PD007650
    • DB-071203
    • NS00005983
    • P0486
    • EN300-19343
    • 1,3-Propanediol, puriss., >=99.0% (GC)
    • C02457
    • D77845
    • A828134
    • F095066
    • Q161514
    • 1,3-Propanediol(Discontinued,See C4X-1254112)
    • 1,3-Propanediol Solution in Acetonitrile, 1000ug/mL
    • InChI=1/C3H8O2/c4-2-1-3-5/h4-5H,1-3H
    • F1908-0064
    • Z104473578
    • 7AB97F71-EF6B-4C05-8084-541427B9306C
    • 1,3-Propanediol, United States Pharmacopeia (USP) Reference Standard
    • 504-63-2

  • Applications

    1,3-Propanediol is primarily used as a monomer for polytrimethylene terephthalate (PTT), a polyester used in durable fibers, films, and engineering plastics with good elasticity and strength for textile and industrial plastic applications. It also serves as a diol chain extender or building block in polyurethane and other resins to improve flexibility and interpolymer compatibility. In cosmetics and personal care, 1,3-propanediol acts as a solvent and humectant, helping to moisturize the skin and impart a smooth feel in formulations. In cleaning and household formulations, it can function as a solvent or co-solvent to optimize dissolution and formulation stability. Additionally, it is an industrial chemical intermediate used to synthesize polymers and resins, expanding material options across multiple sectors, subject to sourcing and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 308.29
    methanol 659.6
    isopropanol 148.82
    water 372.76
    ethyl acetate 17.94
    n-propanol 211.36
    acetone 53.97
    n-butanol 152.39
    acetonitrile 31.21
    DMF 251.15
    toluene 1.25
    isobutanol 107.4
    1,4-dioxane 64.57
    methyl acetate 25.09
    THF 150.76
    2-butanone 31.02
    n-pentanol 58.17
    sec-butanol 99.93
    n-hexane 3.23
    ethylene glycol 364.31
    NMP 268.53
    cyclohexane 5.8
    DMSO 373.46
    n-butyl acetate 21.09
    n-octanol 24.98
    chloroform 27.32
    n-propyl acetate 16.2
    acetic acid 709.22
    dichloromethane 25.84
    cyclohexanone 72.15
    propylene glycol 287.35
    isopropyl acetate 9.43
    DMAc 112.54
    2-ethoxyethanol 112.42
    isopentanol 66.33
    n-heptane 6.15
    ethyl formate 40.03
    1,2-dichloroethane 17.68
    n-hexanol 55.52
    2-methoxyethanol 285.6
    isobutyl acetate 9.67
    tetrachloromethane 10.4
    n-pentyl acetate 15.89
    transcutol 191.76
    n-heptanol 30.85
    ethylbenzene 1.03
    MIBK 10.97
    2-propoxyethanol 107.29
    tert-butanol 109.11
    MTBE 13.52
    2-butoxyethanol 72.16
    propionic acid 262.03
    o-xylene 1.99
    formic acid 735.24
    diethyl ether 16.09
    m-xylene 1.55
    p-xylene 1.87
    chlorobenzene 4.75
    dimethyl carbonate 10.06
    n-octane 1.89
    formamide 464.02
    cyclopentanone 115.72
    2-pentanone 21.44
    anisole 5.89
    cyclopentyl methyl ether 34.07
    gamma-butyrolactone 164.79
    1-methoxy-2-propanol 136.61
    pyridine 27.86
    3-pentanone 14.72
    furfural 125.36
    n-dodecane 1.27
    diethylene glycol 165.23
    diisopropyl ether 4.09
    tert-amyl alcohol 76.07
    acetylacetone 21.87
    n-hexadecane 1.3
    acetophenone 10.31
    methyl propionate 23.07
    isopentyl acetate 15.77
    trichloroethylene 28.71
    n-nonanol 21.1
    cyclohexanol 88.11
    benzyl alcohol 17.9
    2-ethylhexanol 24.02
    isooctanol 21.51
    dipropyl ether 19.53
    1,2-dichlorobenzene 6.14
    ethyl lactate 25.28
    propylene carbonate 61.78
    n-methylformamide 225.91
    2-pentanol 50.37
    n-pentane 4.4
    1-propoxy-2-propanol 72.73
    1-methoxy-2-propyl acetate 21.22
    2-(2-methoxypropoxy) propanol 47.24
    mesitylene 1.7
    ε-caprolactone 71.65
    p-cymene 3.49
    epichlorohydrin 68.51
    1,1,1-trichloroethane 9.41
    2-aminoethanol 416.2
    morpholine-4-carbaldehyde 171.31
    sulfolane 251.25
    2,2,4-trimethylpentane 2.25
    2-methyltetrahydrofuran 65.72
    n-hexyl acetate 21.25
    isooctane 1.48
    2-(2-butoxyethoxy)ethanol 74.04
    sec-butyl acetate 7.56
    tert-butyl acetate 11.45
    decalin 1.57
    glycerin 408.32
    diglyme 101.87
    acrylic acid 275.97
    isopropyl myristate 8.24
    n-butyric acid 185.05
    acetyl acetate 13.49
    di(2-ethylhexyl) phthalate 15.11
    ethyl propionate 11.45
    nitromethane 259.37
    1,2-diethoxyethane 21.55
    benzonitrile 13.36
    trioctyl phosphate 13.38
    1-bromopropane 8.76
    gamma-valerolactone 151.19
    n-decanol 14.22
    triethyl phosphate 11.9
    4-methyl-2-pentanol 18.03
    propionitrile 28.44
    vinylene carbonate 52.34
    1,1,2-trichlorotrifluoroethane 154.05
    DMS 13.93
    cumene 1.6
    2-octanol 15.71
    2-hexanone 15.92
    octyl acetate 12.6
    limonene 6.93
    1,2-dimethoxyethane 71.39
    ethyl orthosilicate 11.36
    tributyl phosphate 14.23
    diacetone alcohol 38.54
    N,N-dimethylaniline 6.76
    acrylonitrile 41.65
    aniline 15.09
    1,3-propanediol 354.13
    bromobenzene 2.37
    dibromomethane 16.23
    1,1,2,2-tetrachloroethane 29.76
    2-methyl-cyclohexyl acetate 16.06
    tetrabutyl urea 21.46
    diisobutyl methanol 12.08
    2-phenylethanol 16.86
    styrene 1.38
    dioctyl adipate 16.82
    dimethyl sulfate 29.13
    ethyl butyrate 16.71
    methyl lactate 47.48
    butyl lactate 31.78
    diethyl carbonate 10.05
    propanediol butyl ether 79.93
    triethyl orthoformate 15.18
    p-tert-butyltoluene 3.71
    methyl 4-tert-butylbenzoate 22.75
    morpholine 123.87
    tert-butylamine 50.23
    n-dodecanol 10.43
    dimethoxymethane 44.11
    ethylene carbonate 42.59
    cyrene 57.04
    2-ethoxyethyl acetate 19.42
    2-ethylhexyl acetate 11.93
    1,2,4-trichlorobenzene 8.87
    4-methylpyridine 14.39
    dibutyl ether 12.46
    2,6-dimethyl-4-heptanol 12.08
    DEF 45.29
    dimethyl isosorbide 59.25
    tetrachloroethylene 30.82
    eugenol 32.99
    triacetin 27.14
    span 80 65.46
    1,4-butanediol 126.62
    1,1-dichloroethane 9.7
    2-methyl-1-pentanol 31.11
    methyl formate 93.21
    2-methyl-1-butanol 75.98
    n-decane 2.14
    butyronitrile 28.22
    3,7-dimethyl-1-octanol 18.89
    1-chlorooctane 6.12
    1-chlorotetradecane 2.57
    n-nonane 2.14
    undecane 1.54
    tert-butylcyclohexane 1.71
    cyclooctane 1.66
    cyclopentanol 167.74
    tetrahydropyran 50.92
    tert-amyl methyl ether 12.7
    2,5,8-trioxanonane 78.8
    1-hexene 6.04
    2-isopropoxyethanol 50.36
    2,2,2-trifluoroethanol 243.09
    methyl butyrate 21.93

    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