7-Octene-1,6-diol, 3,7-dimethyl-

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  • Identifiers

    CAS number
    22460-95-3

    Molecular formula
    C10H20O2

    SMILES
    CC(CCC(C(=C)C)O)CCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 35.11%
    Woody 31.5%
    Mint 30.73%
    Floral 29.29%
    Odorless 27.65%
    Rose 26.04%
    Fresh 24.42%
    Dry 24.36%
    Cooling 23.81%
    Earthy 22.89%

     

    Flavor
    Herbal 36.64%
    Green 34.09%
    Fruity 29.11%
    Oily 27.02%
    Tropical 26.54%
    Herb 26.38%
    Sweet 25.46%
    Spicy 25.08%
    Earthy 22.75%
    Mild 22.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.17 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    269°C

    Flash point

    • 124.13 ˚C est.

  • Synonyms

    • 3,7-Dimethyloct-7-ene-1,6-diol
    • 22460-95-3
    • 7-Octene-1,6-diol, 3,7-dimethyl-
    • EINECS 245-015-5
    • DTXSID40865054
    • SCHEMBL344700
    • 3-(R,S)-(3,7)-Dimethyloct-7-ene-(1,6)-diol
    • DTXCID70813508
    • HWNJNAUJFVQJRV-UHFFFAOYSA-N
    • DB-284380
    • NS00012320
    • 245-015-5

  • Applications

    7-Octene-1,6-diol, 3,7-dimethyl- (CAS 22460-95-3) is a bifunctional aliphatic diol bearing an internal alkene, which makes it a useful building block in polymer synthesis and formulations. In industry, it is commonly used as a diol component (polyol) for the preparation of polyurethanes and polyesters, providing hydroxyl functionality for chain extension and crosslinking. The alkene moiety enables further functionalization or copolymerization, allowing application in UV-curable coatings, reactive adhesives, and specialty sealants. It can serve as a crosslinking or reactive diluent component in coatings and inks, contributing to cure characteristics and performance. It is also evaluated as a precursor for specialty elastomers and hydrogel materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1218.82
    methanol 1490.63
    isopropanol 844.71
    water 4.31
    ethyl acetate 223.97
    n-propanol 815.11
    acetone 223.19
    n-butanol 772.98
    acetonitrile 175.84
    DMF 253.39
    toluene 49.02
    isobutanol 496.52
    1,4-dioxane 774.92
    methyl acetate 179.2
    THF 811.29
    2-butanone 211.33
    n-pentanol 412.36
    sec-butanol 502.84
    n-hexane 17.97
    ethylene glycol 224.28
    NMP 148.64
    cyclohexane 35.68
    DMSO 411.61
    n-butyl acetate 219.55
    n-octanol 138.59
    chloroform 200.59
    n-propyl acetate 152.44
    acetic acid 578.67
    dichloromethane 118.41
    cyclohexanone 312.0
    propylene glycol 360.58
    isopropyl acetate 143.17
    DMAc 185.26
    2-ethoxyethanol 558.85
    isopentanol 527.1
    n-heptane 21.0
    ethyl formate 186.33
    1,2-dichloroethane 97.29
    n-hexanol 531.9
    2-methoxyethanol 1014.52
    isobutyl acetate 109.1
    tetrachloromethane 50.3
    n-pentyl acetate 102.07
    transcutol 1002.11
    n-heptanol 191.55
    ethylbenzene 32.72
    MIBK 144.82
    2-propoxyethanol 583.54
    tert-butanol 948.46
    MTBE 323.66
    2-butoxyethanol 313.84
    propionic acid 328.04
    o-xylene 44.06
    formic acid 273.96
    diethyl ether 210.42
    m-xylene 50.32
    p-xylene 42.98
    chlorobenzene 60.47
    dimethyl carbonate 30.15
    n-octane 7.79
    formamide 231.17
    cyclopentanone 264.23
    2-pentanone 181.03
    anisole 97.89
    cyclopentyl methyl ether 236.52
    gamma-butyrolactone 271.19
    1-methoxy-2-propanol 601.39
    pyridine 207.47
    3-pentanone 87.56
    furfural 273.16
    n-dodecane 5.79
    diethylene glycol 441.82
    diisopropyl ether 64.27
    tert-amyl alcohol 532.27
    acetylacetone 160.46
    n-hexadecane 6.4
    acetophenone 87.79
    methyl propionate 109.51
    isopentyl acetate 206.45
    trichloroethylene 184.91
    n-nonanol 114.45
    cyclohexanol 395.43
    benzyl alcohol 134.67
    2-ethylhexanol 226.76
    isooctanol 138.13
    dipropyl ether 161.33
    1,2-dichlorobenzene 58.14
    ethyl lactate 87.89
    propylene carbonate 163.65
    n-methylformamide 230.75
    2-pentanol 364.17
    n-pentane 19.46
    1-propoxy-2-propanol 399.47
    1-methoxy-2-propyl acetate 192.13
    2-(2-methoxypropoxy) propanol 204.16
    mesitylene 37.05
    ε-caprolactone 268.16
    p-cymene 37.27
    epichlorohydrin 327.4
    1,1,1-trichloroethane 96.49
    2-aminoethanol 553.87
    morpholine-4-carbaldehyde 350.52
    sulfolane 239.08
    2,2,4-trimethylpentane 14.02
    2-methyltetrahydrofuran 497.73
    n-hexyl acetate 137.32
    isooctane 15.41
    2-(2-butoxyethoxy)ethanol 332.56
    sec-butyl acetate 106.67
    tert-butyl acetate 169.34
    decalin 14.75
    glycerin 400.62
    diglyme 530.85
    acrylic acid 203.67
    isopropyl myristate 49.89
    n-butyric acid 547.04
    acetyl acetate 104.52
    di(2-ethylhexyl) phthalate 66.09
    ethyl propionate 94.22
    nitromethane 354.11
    1,2-diethoxyethane 229.56
    benzonitrile 115.68
    trioctyl phosphate 50.67
    1-bromopropane 66.2
    gamma-valerolactone 465.45
    n-decanol 78.85
    triethyl phosphate 54.51
    4-methyl-2-pentanol 205.03
    propionitrile 176.74
    vinylene carbonate 129.97
    1,1,2-trichlorotrifluoroethane 264.59
    DMS 61.23
    cumene 32.01
    2-octanol 96.61
    2-hexanone 159.14
    octyl acetate 67.17
    limonene 65.91
    1,2-dimethoxyethane 606.72
    ethyl orthosilicate 62.72
    tributyl phosphate 55.05
    diacetone alcohol 274.89
    N,N-dimethylaniline 66.38
    acrylonitrile 156.65
    aniline 139.93
    1,3-propanediol 861.1
    bromobenzene 45.8
    dibromomethane 90.23
    1,1,2,2-tetrachloroethane 178.57
    2-methyl-cyclohexyl acetate 120.55
    tetrabutyl urea 64.96
    diisobutyl methanol 113.69
    2-phenylethanol 156.5
    styrene 34.98
    dioctyl adipate 80.04
    dimethyl sulfate 46.99
    ethyl butyrate 148.87
    methyl lactate 97.49
    butyl lactate 107.6
    diethyl carbonate 75.99
    propanediol butyl ether 255.99
    triethyl orthoformate 110.97
    p-tert-butyltoluene 40.38
    methyl 4-tert-butylbenzoate 108.35
    morpholine 963.14
    tert-butylamine 455.87
    n-dodecanol 57.18
    dimethoxymethane 195.98
    ethylene carbonate 130.97
    cyrene 155.2
    2-ethoxyethyl acetate 138.04
    2-ethylhexyl acetate 136.82
    1,2,4-trichlorobenzene 68.71
    4-methylpyridine 173.6
    dibutyl ether 90.02
    2,6-dimethyl-4-heptanol 113.69
    DEF 166.62
    dimethyl isosorbide 258.82
    tetrachloroethylene 154.0
    eugenol 125.56
    triacetin 111.47
    span 80 209.99
    1,4-butanediol 263.44
    1,1-dichloroethane 105.89
    2-methyl-1-pentanol 286.32
    methyl formate 129.68
    2-methyl-1-butanol 407.31
    n-decane 10.57
    butyronitrile 254.16
    3,7-dimethyl-1-octanol 131.21
    1-chlorooctane 39.0
    1-chlorotetradecane 14.86
    n-nonane 10.09
    undecane 7.37
    tert-butylcyclohexane 16.95
    cyclooctane 11.67
    cyclopentanol 382.74
    tetrahydropyran 620.78
    tert-amyl methyl ether 187.62
    2,5,8-trioxanonane 322.99
    1-hexene 69.88
    2-isopropoxyethanol 336.85
    2,2,2-trifluoroethanol 111.09
    methyl butyrate 154.95

    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