3-Methyl-1-octyn-3-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    23580-51-0

    Molecular formula
    C9H16O

    SMILES
    CCCCCC(C)(C#C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 59.79%
    Floral 50.17%
    Sweet 49.44%
    Dry 38.68%
    Waxy 34.24%
    Fresh 34.24%
    Earthy 33.8%
    Herbal 31.77%
    Violet 31.22%
    Citrus 30.85%

     

    Flavor
    Mild 29.82%
    Woody 24.44%
    Bitter 22.51%
    Odorless 22.31%
    Green 21.38%
    Floral 21.02%
    Herbal 20.34%
    Yeasty 20.29%
    Clary 19.66%
    Catty 19.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.75 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    180°C

    Flash point

    • 68.01 ˚C est.

  • Synonyms

    • 3-Methyl-1-octyn-3-ol
    • 1-Octyn-3-ol, 3-methyl-
    • 23580-51-0
    • EINECS 245-751-7
    • DTXSID30865104
    • 3Methyloct1yn3ol
    • 1Octyn3ol, 3methyl
    • RefChem:94704
    • nAmyl ethynyl methyl carbinol
    • DTXCID80813554
    • ZBDMJPAJZFSKPR-UHFFFAOYSA-N
    • 3-Methyloct-1-yn-3-ol
    • SCHEMBL1056747
    • SCHEMBL28508360
    • (+/-)-3-Methyl-1-octyn-3-ol
    • MFCD00041581
    • SBB009079
    • AKOS006227596
    • NS00051891
    • Q67879592
    • 23580-51-0

  • Applications

    3-Methyl-1-octyn-3-ol (CAS 23580-51-0) is a specialty chemical building block used in organic synthesis, often serving as an intermediate for the preparation of fragrance-related compounds and other high-value chemicals. In perfumery and cosmetics, it can act as an odorant or fragrance note and may be incorporated into formulations as a fragrance component or as a precursor to ester and ether derivatives. In industrial manufacturing, it provides a scaffold for synthesizing functionalized monomers that can be polymerized or transformed into specialty plastics and coatings. Additionally, it may function as a solvent or co-solvent in niche formulations and can be evaluated for use in coatings, inks, and other materials that involve alkyne-containing alcohols. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3845.87
    methanol 4498.63
    isopropanol 2656.92
    water 3.72
    ethyl acetate 880.21
    n-propanol 2647.04
    acetone 1358.9
    n-butanol 2552.76
    acetonitrile 938.43
    DMF 1081.88
    toluene 222.85
    isobutanol 1560.63
    1,4-dioxane 1902.79
    methyl acetate 680.09
    THF 2319.01
    2-butanone 873.57
    n-pentanol 1322.95
    sec-butanol 1707.83
    n-hexane 411.3
    ethylene glycol 702.18
    NMP 612.68
    cyclohexane 446.68
    DMSO 1263.55
    n-butyl acetate 904.34
    n-octanol 545.33
    chloroform 1487.07
    n-propyl acetate 561.64
    acetic acid 1272.05
    dichloromethane 1035.16
    cyclohexanone 1203.37
    propylene glycol 970.31
    isopropyl acetate 499.82
    DMAc 567.01
    2-ethoxyethanol 1134.41
    isopentanol 1468.21
    n-heptane 320.65
    ethyl formate 632.71
    1,2-dichloroethane 610.68
    n-hexanol 1829.47
    2-methoxyethanol 2175.47
    isobutyl acetate 343.12
    tetrachloromethane 317.03
    n-pentyl acetate 428.56
    transcutol 2040.59
    n-heptanol 603.44
    ethylbenzene 144.91
    MIBK 438.12
    2-propoxyethanol 1579.91
    tert-butanol 1989.87
    MTBE 1029.09
    2-butoxyethanol 745.19
    propionic acid 1089.32
    o-xylene 143.35
    formic acid 594.25
    diethyl ether 1463.31
    m-xylene 163.06
    p-xylene 182.88
    chlorobenzene 284.06
    dimethyl carbonate 141.16
    n-octane 86.53
    formamide 590.14
    cyclopentanone 1024.3
    2-pentanone 907.92
    anisole 305.96
    cyclopentyl methyl ether 880.13
    gamma-butyrolactone 986.91
    1-methoxy-2-propanol 1411.08
    pyridine 765.5
    3-pentanone 456.44
    furfural 714.34
    n-dodecane 51.64
    diethylene glycol 1066.32
    diisopropyl ether 325.66
    tert-amyl alcohol 1322.81
    acetylacetone 557.42
    n-hexadecane 55.3
    acetophenone 247.2
    methyl propionate 485.68
    isopentyl acetate 650.69
    trichloroethylene 839.22
    n-nonanol 424.07
    cyclohexanol 1222.33
    benzyl alcohol 306.38
    2-ethylhexanol 762.87
    isooctanol 405.53
    dipropyl ether 859.13
    1,2-dichlorobenzene 235.05
    ethyl lactate 243.78
    propylene carbonate 529.69
    n-methylformamide 850.43
    2-pentanol 1328.29
    n-pentane 385.14
    1-propoxy-2-propanol 1110.49
    1-methoxy-2-propyl acetate 517.46
    2-(2-methoxypropoxy) propanol 464.44
    mesitylene 117.9
    ε-caprolactone 848.43
    p-cymene 136.3
    epichlorohydrin 903.42
    1,1,1-trichloroethane 546.87
    2-aminoethanol 1466.14
    morpholine-4-carbaldehyde 888.33
    sulfolane 815.55
    2,2,4-trimethylpentane 95.58
    2-methyltetrahydrofuran 1552.22
    n-hexyl acetate 575.98
    isooctane 86.78
    2-(2-butoxyethoxy)ethanol 758.93
    sec-butyl acetate 321.71
    tert-butyl acetate 455.68
    decalin 100.84
    glycerin 967.25
    diglyme 1223.76
    acrylic acid 686.94
    isopropyl myristate 205.86
    n-butyric acid 1576.89
    acetyl acetate 363.08
    di(2-ethylhexyl) phthalate 183.5
    ethyl propionate 361.5
    nitromethane 1155.88
    1,2-diethoxyethane 750.54
    benzonitrile 383.53
    trioctyl phosphate 173.0
    1-bromopropane 714.55
    gamma-valerolactone 1291.31
    n-decanol 296.84
    triethyl phosphate 174.61
    4-methyl-2-pentanol 529.61
    propionitrile 950.23
    vinylene carbonate 461.12
    1,1,2-trichlorotrifluoroethane 752.38
    DMS 253.47
    cumene 108.75
    2-octanol 378.28
    2-hexanone 621.52
    octyl acetate 262.89
    limonene 271.89
    1,2-dimethoxyethane 1442.0
    ethyl orthosilicate 195.54
    tributyl phosphate 194.82
    diacetone alcohol 564.13
    N,N-dimethylaniline 200.43
    acrylonitrile 747.42
    aniline 389.22
    1,3-propanediol 1728.06
    bromobenzene 252.93
    dibromomethane 852.68
    1,1,2,2-tetrachloroethane 769.21
    2-methyl-cyclohexyl acetate 322.87
    tetrabutyl urea 236.05
    diisobutyl methanol 349.09
    2-phenylethanol 382.5
    styrene 177.25
    dioctyl adipate 278.95
    dimethyl sulfate 188.52
    ethyl butyrate 508.47
    methyl lactate 303.28
    butyl lactate 351.26
    diethyl carbonate 288.9
    propanediol butyl ether 747.71
    triethyl orthoformate 352.32
    p-tert-butyltoluene 140.65
    methyl 4-tert-butylbenzoate 282.51
    morpholine 2354.03
    tert-butylamine 1394.91
    n-dodecanol 219.62
    dimethoxymethane 731.75
    ethylene carbonate 466.51
    cyrene 322.02
    2-ethoxyethyl acetate 440.99
    2-ethylhexyl acetate 495.27
    1,2,4-trichlorobenzene 262.48
    4-methylpyridine 639.18
    dibutyl ether 540.24
    2,6-dimethyl-4-heptanol 349.09
    DEF 659.46
    dimethyl isosorbide 569.08
    tetrachloroethylene 612.74
    eugenol 303.4
    triacetin 393.63
    span 80 530.96
    1,4-butanediol 622.78
    1,1-dichloroethane 774.95
    2-methyl-1-pentanol 780.08
    methyl formate 491.38
    2-methyl-1-butanol 1218.09
    n-decane 97.08
    butyronitrile 1330.84
    3,7-dimethyl-1-octanol 428.45
    1-chlorooctane 260.36
    1-chlorotetradecane 96.92
    n-nonane 106.31
    undecane 66.62
    tert-butylcyclohexane 102.51
    cyclooctane 119.29
    cyclopentanol 1280.89
    tetrahydropyran 2365.54
    tert-amyl methyl ether 611.14
    2,5,8-trioxanonane 759.34
    1-hexene 896.57
    2-isopropoxyethanol 701.46
    2,2,2-trifluoroethanol 295.1
    methyl butyrate 552.72

    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