3,6-Octanediol

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  • Identifiers

    CAS number
    24434-09-1

    Molecular formula
    C8H18O2

    SMILES
    CCC(CCC(CC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 41.52%
    Fruity 41.17%
    Odorless 37.01%
    Sweet 34.3%
    Alcoholic 31.3%
    Buttery 27.12%
    Creamy 24.46%
    Milky 22.49%
    Mint 21.45%
    Fresh 20.98%

     

    Flavor
    Bitter 43.91%
    Herbal 36.03%
    Sweet 32.33%
    Odorless 32.11%
    Alcoholic 31.29%
    Oily 29.3%
    Onion 27.06%
    Fruity 26.95%
    Herb 26.91%
    Musty 26.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    9.41 (weak base)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    240°C

    Flash point

    • 109.34 ˚C est.

  • Synonyms

    • 3,6-Octanediol
    • 24434-09-1
    • DTXSID10885264
    • RefChem:91800
    • DTXCID70895041
    • octane-3,6-diol
    • 3,6-Octanediol, (3R,6R)-
    • (3R,6R)-(-)-3,6-OCTANEDIOL
    • MFCD02094003
    • SCHEMBL428320
    • SCHEMBL1020061
    • SCHEMBL6434461
    • SCHEMBL7514006
    • BCKOQWWRTRBSGR-UHFFFAOYSA-N
    • AKOS037645053
    • SB44229
    • AS-56570
    • DB-062701
    • D86710
    • (3R,6r)-dihydroxyoctane;(3r,6r)-octane-3,6-diol
    • 24434-09-1

  • Applications

    3,6-Octanediol (CAS 24434-09-1) is primarily used as a diol building block for the synthesis of polyesters and polyurethanes, functioning as a monomer or chain extender to tailor the properties of polymer materials in the plastics industry. It also serves as an intermediate for specialty polymers and elastomers, as well as for high-performance coatings and sealants. In coatings and related systems, it can be incorporated into resin formulations to improve durability and crosslink density; in polyurethane formulations used for adhesives, it acts as a diol crosslinker, enhancing adhesion and flexibility. Additionally, it can be used as an intermediate in broader industrial chemical syntheses to prepare other functional chemicals and polymer-related products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 748.5
    methanol 855.3
    isopropanol 714.76
    water 2.84
    ethyl acetate 166.44
    n-propanol 658.61
    acetone 225.75
    n-butanol 628.77
    acetonitrile 177.19
    DMF 299.88
    toluene 55.05
    isobutanol 428.7
    1,4-dioxane 464.45
    methyl acetate 163.67
    THF 779.89
    2-butanone 209.47
    n-pentanol 331.78
    sec-butanol 524.16
    n-hexane 78.22
    ethylene glycol 131.78
    NMP 262.35
    cyclohexane 108.23
    DMSO 413.81
    n-butyl acetate 226.36
    n-octanol 161.61
    chloroform 483.03
    n-propyl acetate 147.39
    acetic acid 305.1
    dichloromethane 342.54
    cyclohexanone 357.76
    propylene glycol 242.12
    isopropyl acetate 111.23
    DMAc 222.03
    2-ethoxyethanol 329.38
    isopentanol 417.45
    n-heptane 80.14
    ethyl formate 168.97
    1,2-dichloroethane 199.08
    n-hexanol 407.68
    2-methoxyethanol 576.96
    isobutyl acetate 102.28
    tetrachloromethane 119.81
    n-pentyl acetate 138.55
    transcutol 543.18
    n-heptanol 205.05
    ethylbenzene 48.28
    MIBK 104.3
    2-propoxyethanol 411.6
    tert-butanol 691.91
    MTBE 287.73
    2-butoxyethanol 267.91
    propionic acid 318.79
    o-xylene 54.68
    formic acid 121.8
    diethyl ether 258.3
    m-xylene 43.68
    p-xylene 74.27
    chlorobenzene 100.36
    dimethyl carbonate 33.51
    n-octane 27.23
    formamide 127.21
    cyclopentanone 383.18
    2-pentanone 169.31
    anisole 96.27
    cyclopentyl methyl ether 240.34
    gamma-butyrolactone 386.99
    1-methoxy-2-propanol 397.07
    pyridine 255.69
    3-pentanone 101.99
    furfural 314.39
    n-dodecane 17.52
    diethylene glycol 275.43
    diisopropyl ether 70.04
    tert-amyl alcohol 465.02
    acetylacetone 127.82
    n-hexadecane 18.87
    acetophenone 96.92
    methyl propionate 113.88
    isopentyl acetate 192.04
    trichloroethylene 299.78
    n-nonanol 140.19
    cyclohexanol 356.97
    benzyl alcohol 119.56
    2-ethylhexanol 219.43
    isooctanol 152.14
    dipropyl ether 231.07
    1,2-dichlorobenzene 100.04
    ethyl lactate 89.24
    propylene carbonate 225.69
    n-methylformamide 195.97
    2-pentanol 339.34
    n-pentane 77.9
    1-propoxy-2-propanol 321.96
    1-methoxy-2-propyl acetate 143.06
    2-(2-methoxypropoxy) propanol 162.04
    mesitylene 36.32
    ε-caprolactone 302.82
    p-cymene 55.65
    epichlorohydrin 330.3
    1,1,1-trichloroethane 208.17
    2-aminoethanol 340.42
    morpholine-4-carbaldehyde 307.44
    sulfolane 406.83
    2,2,4-trimethylpentane 32.93
    2-methyltetrahydrofuran 482.63
    n-hexyl acetate 162.6
    isooctane 22.89
    2-(2-butoxyethoxy)ethanol 238.88
    sec-butyl acetate 97.79
    tert-butyl acetate 124.05
    decalin 36.71
    glycerin 252.37
    diglyme 388.96
    acrylic acid 209.41
    isopropyl myristate 73.69
    n-butyric acid 455.2
    acetyl acetate 91.12
    di(2-ethylhexyl) phthalate 73.52
    ethyl propionate 102.8
    nitromethane 258.15
    1,2-diethoxyethane 203.55
    benzonitrile 146.2
    trioctyl phosphate 68.37
    1-bromopropane 205.89
    gamma-valerolactone 413.96
    n-decanol 100.22
    triethyl phosphate 76.35
    4-methyl-2-pentanol 159.1
    propionitrile 257.88
    vinylene carbonate 179.83
    1,1,2-trichlorotrifluoroethane 294.7
    DMS 75.1
    cumene 45.82
    2-octanol 126.0
    2-hexanone 154.29
    octyl acetate 90.41
    limonene 96.41
    1,2-dimethoxyethane 429.56
    ethyl orthosilicate 83.77
    tributyl phosphate 77.7
    diacetone alcohol 178.61
    N,N-dimethylaniline 75.49
    acrylonitrile 216.83
    aniline 126.15
    1,3-propanediol 485.17
    bromobenzene 87.9
    dibromomethane 261.08
    1,1,2,2-tetrachloroethane 323.39
    2-methyl-cyclohexyl acetate 130.73
    tetrabutyl urea 91.22
    diisobutyl methanol 118.77
    2-phenylethanol 131.5
    styrene 56.64
    dioctyl adipate 104.32
    dimethyl sulfate 61.81
    ethyl butyrate 160.56
    methyl lactate 91.87
    butyl lactate 131.59
    diethyl carbonate 97.46
    propanediol butyl ether 218.31
    triethyl orthoformate 133.56
    p-tert-butyltoluene 56.32
    methyl 4-tert-butylbenzoate 113.28
    morpholine 596.8
    tert-butylamine 510.69
    n-dodecanol 75.37
    dimethoxymethane 158.19
    ethylene carbonate 173.39
    cyrene 142.82
    2-ethoxyethyl acetate 132.4
    2-ethylhexyl acetate 151.8
    1,2,4-trichlorobenzene 115.7
    4-methylpyridine 199.44
    dibutyl ether 158.3
    2,6-dimethyl-4-heptanol 118.77
    DEF 172.77
    dimethyl isosorbide 231.71
    tetrachloroethylene 249.01
    eugenol 123.23
    triacetin 124.6
    span 80 189.7
    1,4-butanediol 176.21
    1,1-dichloroethane 234.09
    2-methyl-1-pentanol 233.75
    methyl formate 119.19
    2-methyl-1-butanol 348.52
    n-decane 31.21
    butyronitrile 326.08
    3,7-dimethyl-1-octanol 139.97
    1-chlorooctane 83.57
    1-chlorotetradecane 33.79
    n-nonane 31.83
    undecane 22.48
    tert-butylcyclohexane 36.0
    cyclooctane 29.98
    cyclopentanol 452.87
    tetrahydropyran 549.04
    tert-amyl methyl ether 179.61
    2,5,8-trioxanonane 260.92
    1-hexene 187.46
    2-isopropoxyethanol 216.88
    2,2,2-trifluoroethanol 100.15
    methyl butyrate 176.1

    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