2,4-Pentanediol

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  • Identifiers

    CAS number
    625-69-4

    Molecular formula
    C5H12O2

    SMILES
    CC(CC(C)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 48.98%
    Odorless 38.46%
    Alcoholic 37.87%
    Oily 30.69%
    Ethereal 28.21%
    Fermented 26.09%
    Green 25.94%
    Nutty 25.22%
    Buttery 24.92%
    Pungent 23.85%

     

    Flavor
    Bitter 42.87%
    Fruity 39.97%
    Odorless 36.09%
    Green 30.79%
    Oily 30.61%
    Alcoholic 29.72%
    Musty 27.38%
    Mild 26.97%
    Tropical 26.37%
    Fermented 25.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    9.05 (weak base)

    Molecular weight
    104.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    198°C

    Flash point

    • 89.74 ˚C est.

  • Synonyms

    • 2,4-PENTANEDIOL
    • 625-69-4
    • 2,4-Amylene glycol
    • 92H536ZDXF
    • DTXSID9032878
    • NSC-13528
    • NSC-53505
    • DTXCID7012878
    • RefChem:82639
    • 210-907-5
    • Pentane-2,4-diol
    • Isoamylene alcohol
    • Pentanediol-2,4
    • MFCD00004549
    • dl-2,4-Pentanediol
    • 2,4-Dihydroxypentane
    • (R*,R*)-Pentane-2,4-diol
    • 2,4-Amyleneglycol
    • WLN: QY&1YQ
    • 36402-52-5
    • EINECS 210-907-5
    • NSC 13528
    • NSC 53505
    • UNII-92H536ZDXF
    • 2,4-Pentanediol (dl+meso)
    • AI3-11547
    • 2,4-pentandiol
    • 2.4-Pentanediol
    • 2,4-Pentanediol, 98%
    • SCHEMBL37585
    • MLS001055336
    • SCHEMBL622233
    • SCHEMBL2379619
    • SCHEMBL2884900
    • SCHEMBL3198345
    • SCHEMBL3388764
    • SCHEMBL6437184
    • CHEMBL1448046
    • 2,4-Pentanediol, >/=98%
    • (S,S)-(+)-2,4-Pentanediol
    • HMS3039M12
    • NSC13528
    • NSC53505
    • Tox21_200916
    • 2,4-Pentanediol, (+/-) + meso
    • AKOS015912558
    • 1,3-DIMETHYLPROPANE-1,3-DIOL
    • 2,4-pentane diol (mixture of isomers)
    • NCGC00091004-01
    • NCGC00091004-02
    • NCGC00258470-01
    • AS-56664
    • CAS-625-69-4
    • SMR000673563
    • SY109425
    • [S-(S*,S*)]-(+)-2,4-Pentanediol
    • DB-050839
    • CS-0377993
    • NS00043941
    • P0670
    • D91996
    • EN300-658948
    • F341843
    • Q27271503
    • 625-69-4

  • Applications

    2,4-Pentanediol (625-69-4) is used primarily as a diol intermediate and chain extender in the synthesis of polymers and plastics, notably polyurethane and polyester; it also serves as a solvent and co-solvent in coatings, inks, and related formulations; in cosmetics and personal care, it functions as a humectant and solvent for active ingredients; in plastic and resin formulations it can act as a plasticizer or flexibilizer; and in cleaning and household products it is used as a solvent or solvent aid to improve solubility and processability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 592.82
    methanol 1047.12
    isopropanol 385.01
    water 191.77
    ethyl acetate 72.84
    n-propanol 421.12
    acetone 168.42
    n-butanol 311.48
    acetonitrile 112.45
    DMF 224.76
    toluene 10.85
    isobutanol 236.0
    1,4-dioxane 233.92
    methyl acetate 99.76
    THF 391.72
    2-butanone 109.0
    n-pentanol 146.76
    sec-butanol 274.18
    n-hexane 30.82
    ethylene glycol 427.5
    NMP 287.74
    cyclohexane 29.16
    DMSO 233.6
    n-butyl acetate 68.18
    n-octanol 109.41
    chloroform 92.18
    n-propyl acetate 52.06
    acetic acid 697.54
    dichloromethane 61.79
    cyclohexanone 164.4
    propylene glycol 446.0
    isopropyl acetate 41.26
    DMAc 172.42
    2-ethoxyethanol 215.46
    isopentanol 157.89
    n-heptane 33.05
    ethyl formate 82.65
    1,2-dichloroethane 43.26
    n-hexanol 235.86
    2-methoxyethanol 441.84
    isobutyl acetate 35.79
    tetrachloromethane 30.72
    n-pentyl acetate 52.6
    transcutol 366.22
    n-heptanol 104.17
    ethylbenzene 8.71
    MIBK 45.29
    2-propoxyethanol 307.53
    tert-butanol 332.8
    MTBE 103.14
    2-butoxyethanol 149.73
    propionic acid 364.65
    o-xylene 15.39
    formic acid 512.54
    diethyl ether 94.07
    m-xylene 14.13
    p-xylene 13.84
    chlorobenzene 21.25
    dimethyl carbonate 27.16
    n-octane 10.0
    formamide 246.42
    cyclopentanone 196.84
    2-pentanone 76.5
    anisole 30.82
    cyclopentyl methyl ether 128.9
    gamma-butyrolactone 249.4
    1-methoxy-2-propanol 257.75
    pyridine 63.44
    3-pentanone 59.71
    furfural 154.45
    n-dodecane 7.79
    diethylene glycol 324.92
    diisopropyl ether 27.92
    tert-amyl alcohol 234.59
    acetylacetone 65.03
    n-hexadecane 8.01
    acetophenone 35.72
    methyl propionate 73.56
    isopentyl acetate 54.64
    trichloroethylene 67.83
    n-nonanol 90.28
    cyclohexanol 215.84
    benzyl alcohol 49.82
    2-ethylhexanol 97.13
    isooctanol 68.76
    dipropyl ether 83.37
    1,2-dichlorobenzene 23.2
    ethyl lactate 54.1
    propylene carbonate 115.53
    n-methylformamide 202.49
    2-pentanol 162.07
    n-pentane 34.12
    1-propoxy-2-propanol 195.8
    1-methoxy-2-propyl acetate 69.19
    2-(2-methoxypropoxy) propanol 120.25
    mesitylene 12.54
    ε-caprolactone 153.3
    p-cymene 18.59
    epichlorohydrin 130.75
    1,1,1-trichloroethane 42.61
    2-aminoethanol 528.18
    morpholine-4-carbaldehyde 238.61
    sulfolane 257.0
    2,2,4-trimethylpentane 15.65
    2-methyltetrahydrofuran 214.86
    n-hexyl acetate 92.4
    isooctane 10.46
    2-(2-butoxyethoxy)ethanol 173.65
    sec-butyl acetate 30.54
    tert-butyl acetate 53.67
    decalin 10.69
    glycerin 515.64
    diglyme 209.44
    acrylic acid 297.51
    isopropyl myristate 37.96
    n-butyric acid 258.73
    acetyl acetate 50.72
    di(2-ethylhexyl) phthalate 45.19
    ethyl propionate 42.56
    nitromethane 288.01
    1,2-diethoxyethane 79.17
    benzonitrile 40.2
    trioctyl phosphate 40.14
    1-bromopropane 36.9
    gamma-valerolactone 239.67
    n-decanol 64.49
    triethyl phosphate 32.05
    4-methyl-2-pentanol 68.63
    propionitrile 94.13
    vinylene carbonate 90.55
    1,1,2-trichlorotrifluoroethane 184.24
    DMS 50.3
    cumene 11.44
    2-octanol 65.08
    2-hexanone 59.63
    octyl acetate 54.32
    limonene 36.37
    1,2-dimethoxyethane 182.42
    ethyl orthosilicate 33.88
    tributyl phosphate 42.51
    diacetone alcohol 102.61
    N,N-dimethylaniline 27.81
    acrylonitrile 95.07
    aniline 47.98
    1,3-propanediol 435.29
    bromobenzene 12.88
    dibromomethane 47.84
    1,1,2,2-tetrachloroethane 71.89
    2-methyl-cyclohexyl acetate 52.44
    tetrabutyl urea 54.82
    diisobutyl methanol 46.22
    2-phenylethanol 61.14
    styrene 9.21
    dioctyl adipate 55.25
    dimethyl sulfate 48.02
    ethyl butyrate 47.95
    methyl lactate 88.57
    butyl lactate 68.32
    diethyl carbonate 31.37
    propanediol butyl ether 171.72
    triethyl orthoformate 43.81
    p-tert-butyltoluene 20.2
    methyl 4-tert-butylbenzoate 69.04
    morpholine 304.62
    tert-butylamine 204.4
    n-dodecanol 48.91
    dimethoxymethane 102.48
    ethylene carbonate 82.21
    cyrene 102.33
    2-ethoxyethyl acetate 61.06
    2-ethylhexyl acetate 44.82
    1,2,4-trichlorobenzene 32.58
    4-methylpyridine 51.81
    dibutyl ether 59.15
    2,6-dimethyl-4-heptanol 46.22
    DEF 85.89
    dimethyl isosorbide 150.12
    tetrachloroethylene 64.96
    eugenol 75.49
    triacetin 80.68
    span 80 139.08
    1,4-butanediol 181.68
    1,1-dichloroethane 43.74
    2-methyl-1-pentanol 92.79
    methyl formate 130.51
    2-methyl-1-butanol 175.44
    n-decane 13.55
    butyronitrile 83.07
    3,7-dimethyl-1-octanol 78.67
    1-chlorooctane 36.64
    1-chlorotetradecane 15.87
    n-nonane 14.12
    undecane 9.74
    tert-butylcyclohexane 13.96
    cyclooctane 10.6
    cyclopentanol 292.97
    tetrahydropyran 195.86
    tert-amyl methyl ether 81.37
    2,5,8-trioxanonane 173.09
    1-hexene 45.89
    2-isopropoxyethanol 129.72
    2,2,2-trifluoroethanol 234.73
    methyl butyrate 58.25

    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