Dehydrosafynol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1540-85-8

    Molecular formula
    C13H10O2

    SMILES
    C/C=C/C#CC#CC#CC#C[C@H](CO)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 57.18%
    Floral 30.91%
    Spicy 29.99%
    Powdery 19.72%
    Warm 19.71%
    Metallic 19.43%
    Cinnamon 18.72%
    Balsamic 16.64%
    Dry 16.12%
    Vanilla 16.08%

     

    Flavor
    Bitter 83.02%
    Odorless 31.29%
    Bland 22.33%
    Nitrile 18.74%
    Sweet-like 16.84%
    Oriental 16.4%
    Cedarleaf 15.98%
    Rotten 15.83%
    Very strong 15.63%
    Formyl 15.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    3.87 (weak acid)

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    142°C

    Flash point

    • 205.98 ˚C est.

  • Synonyms

    • Dehydrosafynol
    • AC1NQY3W
    • (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol
    • 1540-85-8
    • C08447
    • (2R,11E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol
    • DTXSID00415074
    • RefChem:131556
    • DTXCID60365925
    • CHEBI:4370
    • SCHEMBL30523856
    • LMFA05000649
    • Q27106356
    • (2R,11E)-Tridec-11-ene-3,5,7,9-tetrayne-1,2-diol
    • 1540-85-8

  • Applications

    Dehydrosafynol (CAS 1540-85-8) is used in fragrance chemistry as an odorant and, in some formulations, as a potential fixative that helps extend scent. It is commonly evaluated for use in cosmetics and personal care as a fragrance ingredient, and in household products as a perfuming agent for cleaners and floor care products. In industrial manufacturing, it can serve as a solvent or processing aid in formulation development, and in coatings and inks as a solvent component to influence drying and fragrance delivery. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 518.88
    methanol 747.25
    isopropanol 233.11
    water 0.49
    ethyl acetate 398.09
    n-propanol 269.08
    acetone 718.12
    n-butanol 209.34
    acetonitrile 325.81
    DMF 968.52
    toluene 63.57
    isobutanol 135.65
    1,4-dioxane 378.21
    methyl acetate 336.34
    THF 751.56
    2-butanone 339.14
    n-pentanol 150.14
    sec-butanol 177.16
    n-hexane 8.23
    ethylene glycol 264.36
    NMP 318.72
    cyclohexane 13.39
    DMSO 2057.61
    n-butyl acetate 178.18
    n-octanol 54.47
    chloroform 216.24
    n-propyl acetate 196.53
    acetic acid 466.04
    dichloromethane 269.13
    cyclohexanone 248.77
    propylene glycol 318.42
    isopropyl acetate 158.4
    DMAc 695.37
    2-ethoxyethanol 499.42
    isopentanol 139.14
    n-heptane 9.85
    ethyl formate 167.19
    1,2-dichloroethane 256.45
    n-hexanol 124.53
    2-methoxyethanol 937.25
    isobutyl acetate 102.32
    tetrachloromethane 18.36
    n-pentyl acetate 76.41
    transcutol 1163.4
    n-heptanol 49.61
    ethylbenzene 33.12
    MIBK 144.57
    2-propoxyethanol 318.01
    tert-butanol 302.78
    MTBE 196.77
    2-butoxyethanol 145.54
    propionic acid 223.76
    o-xylene 34.79
    formic acid 261.76
    diethyl ether 274.91
    m-xylene 40.31
    p-xylene 32.66
    chlorobenzene 62.29
    dimethyl carbonate 159.28
    n-octane 4.64
    formamide 536.04
    cyclopentanone 394.92
    2-pentanone 281.85
    anisole 120.89
    cyclopentyl methyl ether 213.68
    gamma-butyrolactone 396.79
    1-methoxy-2-propanol 567.48
    pyridine 254.94
    3-pentanone 173.57
    furfural 329.51
    n-dodecane 5.1
    diethylene glycol 389.28
    diisopropyl ether 57.36
    tert-amyl alcohol 215.09
    acetylacetone 393.25
    n-hexadecane 5.52
    acetophenone 121.53
    methyl propionate 310.24
    isopentyl acetate 129.6
    trichloroethylene 423.06
    n-nonanol 49.37
    cyclohexanol 133.37
    benzyl alcohol 117.36
    2-ethylhexanol 68.1
    isooctanol 42.77
    dipropyl ether 107.38
    1,2-dichlorobenzene 57.65
    ethyl lactate 111.09
    propylene carbonate 171.08
    n-methylformamide 448.51
    2-pentanol 136.39
    n-pentane 9.53
    1-propoxy-2-propanol 214.87
    1-methoxy-2-propyl acetate 197.78
    2-(2-methoxypropoxy) propanol 176.02
    mesitylene 24.05
    ε-caprolactone 206.5
    p-cymene 26.04
    epichlorohydrin 497.65
    1,1,1-trichloroethane 115.81
    2-aminoethanol 352.01
    morpholine-4-carbaldehyde 437.61
    sulfolane 504.33
    2,2,4-trimethylpentane 7.94
    2-methyltetrahydrofuran 322.81
    n-hexyl acetate 109.1
    isooctane 6.73
    2-(2-butoxyethoxy)ethanol 255.73
    sec-butyl acetate 108.74
    tert-butyl acetate 183.54
    decalin 8.95
    glycerin 425.98
    diglyme 506.45
    acrylic acid 214.39
    isopropyl myristate 45.33
    n-butyric acid 246.37
    acetyl acetate 190.41
    di(2-ethylhexyl) phthalate 45.63
    ethyl propionate 145.63
    nitromethane 919.01
    1,2-diethoxyethane 257.4
    benzonitrile 104.44
    trioctyl phosphate 33.78
    1-bromopropane 117.64
    gamma-valerolactone 446.71
    n-decanol 38.87
    triethyl phosphate 60.26
    4-methyl-2-pentanol 68.77
    propionitrile 182.13
    vinylene carbonate 152.28
    1,1,2-trichlorotrifluoroethane 458.3
    DMS 126.7
    cumene 23.3
    2-octanol 33.86
    2-hexanone 167.12
    octyl acetate 57.76
    limonene 42.47
    1,2-dimethoxyethane 571.45
    ethyl orthosilicate 59.65
    tributyl phosphate 47.33
    diacetone alcohol 263.95
    N,N-dimethylaniline 76.39
    acrylonitrile 244.83
    aniline 124.04
    1,3-propanediol 392.24
    bromobenzene 55.55
    dibromomethane 150.56
    1,1,2,2-tetrachloroethane 303.32
    2-methyl-cyclohexyl acetate 81.97
    tetrabutyl urea 71.49
    diisobutyl methanol 46.42
    2-phenylethanol 98.73
    styrene 46.22
    dioctyl adipate 81.38
    dimethyl sulfate 254.31
    ethyl butyrate 126.72
    methyl lactate 198.56
    butyl lactate 87.53
    diethyl carbonate 86.55
    propanediol butyl ether 174.31
    triethyl orthoformate 91.51
    p-tert-butyltoluene 26.08
    methyl 4-tert-butylbenzoate 93.53
    morpholine 515.76
    tert-butylamine 133.25
    n-dodecanol 32.33
    dimethoxymethane 610.29
    ethylene carbonate 126.89
    cyrene 140.57
    2-ethoxyethyl acetate 156.0
    2-ethylhexyl acetate 92.62
    1,2,4-trichlorobenzene 83.47
    4-methylpyridine 187.32
    dibutyl ether 82.9
    2,6-dimethyl-4-heptanol 46.42
    DEF 308.78
    dimethyl isosorbide 223.1
    tetrachloroethylene 165.3
    eugenol 113.96
    triacetin 145.73
    span 80 125.43
    1,4-butanediol 156.41
    1,1-dichloroethane 161.11
    2-methyl-1-pentanol 112.11
    methyl formate 318.57
    2-methyl-1-butanol 132.11
    n-decane 7.43
    butyronitrile 157.08
    3,7-dimethyl-1-octanol 56.52
    1-chlorooctane 30.96
    1-chlorotetradecane 15.4
    n-nonane 6.95
    undecane 5.98
    tert-butylcyclohexane 9.01
    cyclooctane 5.06
    cyclopentanol 147.64
    tetrahydropyran 302.53
    tert-amyl methyl ether 142.66
    2,5,8-trioxanonane 350.14
    1-hexene 45.5
    2-isopropoxyethanol 244.61
    2,2,2-trifluoroethanol 121.63
    methyl butyrate 190.48

    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