5-Octadecynoic acid

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  • Identifiers

    CAS number
    676-30-2

    Molecular formula
    C18H32O2

    SMILES
    CCCCCCCCCCCCC#CCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 62.62%
    Waxy 62.59%
    Oily 38.99%
    Citrus 36.74%
    Meaty 30.62%
    Fresh 30.21%
    Milky 29.78%
    Green 26.6%
    Floral 26.45%
    Dairy 25.4%

     

    Flavor
    Bland 34.04%
    Odorless 33.18%
    Fatty 33.01%
    Mild 31.91%
    Faint 30.82%
    Waxy 24.37%
    Slightly waxy 23.49%
    Bay oil 21.72%
    Delicate 21.04%
    Cultured dairy 20.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    6.62 (neutral)

    Molecular weight
    280.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Melting point expt.

    • 52 °C

    Flash point

    • 196.16 ˚C est.

  • Synonyms

    • 5-Octadecynoic acid
    • octadec-5-ynoic acid
    • DTXSID90415583
    • 676-30-2
    • 5-Octadecynoate
    • RefChem:103326
    • DTXCID60366432
    • octadeca-5-ynoic acid
    • SCHEMBL3626169
    • CHEBI:170096
    • LMFA01030566
    • 676-30-2

  • Applications

    5-Octadecynoic acid (CAS 676-30-2) is used primarily as a reactive building block in organic synthesis and in specialty polymers and coatings. Its internal alkyne functionality enables covalent crosslinking and surface modification via click-chemistry-type transformations, making it suitable as a monomer or comonomer in functional polymers and in reactive coatings or inks. It also serves as an intermediate for synthesizing functionalized surfactants and adhesion chemistries, and can be used to prepare lipid-like derivatives for cosmetics or personal-care applications. In industrial manufacturing, it is evaluated as a precursor for specialty materials and as a handle for grafting reactive groups onto substrates; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 407.87
    methanol 536.28
    isopropanol 329.05
    water 0.05
    ethyl acetate 316.35
    n-propanol 303.44
    acetone 417.32
    n-butanol 292.32
    acetonitrile 126.77
    DMF 711.02
    toluene 62.22
    isobutanol 247.81
    1,4-dioxane 338.01
    methyl acetate 204.82
    THF 922.32
    2-butanone 346.52
    n-pentanol 261.48
    sec-butanol 252.75
    n-hexane 51.25
    ethylene glycol 32.83
    NMP 653.09
    cyclohexane 69.12
    DMSO 1334.69
    n-butyl acetate 414.03
    n-octanol 119.73
    chloroform 432.97
    n-propyl acetate 479.56
    acetic acid 219.81
    dichloromethane 472.81
    cyclohexanone 724.12
    propylene glycol 92.74
    isopropyl acetate 306.3
    DMAc 629.76
    2-ethoxyethanol 453.61
    isopentanol 296.26
    n-heptane 30.56
    ethyl formate 185.69
    1,2-dichloroethane 419.19
    n-hexanol 211.84
    2-methoxyethanol 564.0
    isobutyl acetate 305.17
    tetrachloromethane 99.94
    n-pentyl acetate 405.97
    transcutol 1427.43
    n-heptanol 130.0
    ethylbenzene 66.99
    MIBK 348.38
    2-propoxyethanol 405.74
    tert-butanol 385.21
    MTBE 334.63
    2-butoxyethanol 348.6
    propionic acid 211.4
    o-xylene 65.72
    formic acid 77.71
    diethyl ether 292.99
    m-xylene 67.54
    p-xylene 88.67
    chlorobenzene 124.95
    dimethyl carbonate 74.45
    n-octane 12.93
    formamide 171.54
    cyclopentanone 724.16
    2-pentanone 416.39
    anisole 172.02
    cyclopentyl methyl ether 436.15
    gamma-butyrolactone 635.58
    1-methoxy-2-propanol 518.39
    pyridine 256.42
    3-pentanone 239.79
    furfural 469.82
    n-dodecane 8.12
    diethylene glycol 220.99
    diisopropyl ether 114.41
    tert-amyl alcohol 321.33
    acetylacetone 435.64
    n-hexadecane 9.62
    acetophenone 227.65
    methyl propionate 232.16
    isopentyl acetate 374.59
    trichloroethylene 568.22
    n-nonanol 111.29
    cyclohexanol 289.99
    benzyl alcohol 150.55
    2-ethylhexanol 154.73
    isooctanol 133.71
    dipropyl ether 278.87
    1,2-dichlorobenzene 160.7
    ethyl lactate 164.47
    propylene carbonate 348.37
    n-methylformamide 285.65
    2-pentanol 223.75
    n-pentane 26.38
    1-propoxy-2-propanol 389.13
    1-methoxy-2-propyl acetate 346.28
    2-(2-methoxypropoxy) propanol 252.9
    mesitylene 56.36
    ε-caprolactone 584.14
    p-cymene 57.63
    epichlorohydrin 655.09
    1,1,1-trichloroethane 305.91
    2-aminoethanol 147.22
    morpholine-4-carbaldehyde 553.09
    sulfolane 1145.28
    2,2,4-trimethylpentane 19.74
    2-methyltetrahydrofuran 551.51
    n-hexyl acetate 388.48
    isooctane 15.26
    2-(2-butoxyethoxy)ethanol 395.47
    sec-butyl acetate 293.29
    tert-butyl acetate 413.41
    decalin 31.47
    glycerin 134.01
    diglyme 851.65
    acrylic acid 132.06
    isopropyl myristate 117.27
    n-butyric acid 452.18
    acetyl acetate 167.4
    di(2-ethylhexyl) phthalate 98.56
    ethyl propionate 314.5
    nitromethane 441.49
    1,2-diethoxyethane 488.35
    benzonitrile 156.94
    trioctyl phosphate 83.43
    1-bromopropane 252.25
    gamma-valerolactone 950.33
    n-decanol 72.76
    triethyl phosphate 137.11
    4-methyl-2-pentanol 140.16
    propionitrile 146.36
    vinylene carbonate 259.24
    1,1,2-trichlorotrifluoroethane 505.76
    DMS 180.97
    cumene 59.06
    2-octanol 107.21
    2-hexanone 441.74
    octyl acetate 145.84
    limonene 105.25
    1,2-dimethoxyethane 752.92
    ethyl orthosilicate 143.13
    tributyl phosphate 115.41
    diacetone alcohol 446.32
    N,N-dimethylaniline 136.4
    acrylonitrile 145.26
    aniline 106.16
    1,3-propanediol 252.2
    bromobenzene 128.51
    dibromomethane 326.25
    1,1,2,2-tetrachloroethane 599.11
    2-methyl-cyclohexyl acetate 252.67
    tetrabutyl urea 160.12
    diisobutyl methanol 101.39
    2-phenylethanol 143.53
    styrene 78.59
    dioctyl adipate 194.6
    dimethyl sulfate 191.06
    ethyl butyrate 325.99
    methyl lactate 146.01
    butyl lactate 292.29
    diethyl carbonate 164.02
    propanediol butyl ether 299.38
    triethyl orthoformate 236.65
    p-tert-butyltoluene 56.65
    methyl 4-tert-butylbenzoate 239.44
    morpholine 624.96
    tert-butylamine 225.53
    n-dodecanol 51.21
    dimethoxymethane 377.05
    ethylene carbonate 245.07
    cyrene 239.71
    2-ethoxyethyl acetate 435.58
    2-ethylhexyl acetate 280.48
    1,2,4-trichlorobenzene 181.93
    4-methylpyridine 265.21
    dibutyl ether 263.19
    2,6-dimethyl-4-heptanol 101.39
    DEF 480.37
    dimethyl isosorbide 443.41
    tetrachloroethylene 393.59
    eugenol 217.8
    triacetin 358.47
    span 80 243.38
    1,4-butanediol 108.27
    1,1-dichloroethane 301.66
    2-methyl-1-pentanol 228.39
    methyl formate 142.69
    2-methyl-1-butanol 251.64
    n-decane 18.71
    butyronitrile 213.31
    3,7-dimethyl-1-octanol 131.54
    1-chlorooctane 95.05
    1-chlorotetradecane 28.15
    n-nonane 19.04
    undecane 11.38
    tert-butylcyclohexane 30.54
    cyclooctane 17.9
    cyclopentanol 303.08
    tetrahydropyran 554.26
    tert-amyl methyl ether 251.94
    2,5,8-trioxanonane 469.05
    1-hexene 156.6
    2-isopropoxyethanol 341.33
    2,2,2-trifluoroethanol 80.34
    methyl butyrate 484.93

    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