Capillin

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    495-74-9

    Molecular formula
    C12H8O

    SMILES
    CC#CC#CC(=O)C1=CC=CC=C1

  • Odor profile

    Sweet 61.04%
    Spicy 50.15%
    Floral 39.72%
    Cinnamon 33.33%
    Warm 29.0%
    Balsamic 28.82%
    Powdery 28.46%
    Vanilla 26.76%
    Herbal 25.33%
    Bitter 23.75%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Melting point expt.

    • 82 - 83 °C

    Flash point est.
    138.74 ˚C

  • Synonyms

    • Capillin
    • 1-phenylhexa-2,4-diyn-1-one
    • 495-74-9
    • 2,4-HEXADIYNOPHENONE
    • 2,4-Hexadiyn-1-one, 1-phenyl-
    • 1-Phenyl-2,4-hexadiyn-1-one
    • 9JXZ3SJG0I
    • NSC 113499
    • BRN 1865168
    • UNII-9JXZ3SJG0I
    • NSC-113499
    • CHEBI:3369
    • DTXSID90197812
    • 2, 4-Hexadiynophenone
    • 1-Benzoyl-1,3-pentadiyne
    • 2,4-Hexadiynophenone, 8CI
    • CHEMBL4540891
    • DTXCID50120303
    • 1-Phenyl-2,4-hexadiyn-1-one #
    • NSC113499
    • AKOS006277108
    • 2,4-Hexadiyn-1-one, 1-phenyl-(9CI)
    • 2,4-Hexadiyn-1-one, 1-phenyl- (9CI)
    • C08398
    • Q18012475

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 935.01
    methanol 1005.42
    isopropanol 468.07
    water 0.45
    ethyl acetate 3665.46
    n-propanol 720.95
    acetone 3689.73
    n-butanol 708.15
    acetonitrile 3368.81
    DMF 7205.92
    toluene 1549.47
    isobutanol 506.63
    1,4-dioxane 2402.41
    methyl acetate 2985.35
    THF 2412.07
    2-butanone 3202.89
    n-pentanol 394.98
    sec-butanol 505.5
    n-hexane 74.68
    ethylene glycol 227.48
    NMP 2732.3
    cyclohexane 162.7
    DMSO 2393.49
    n-butyl acetate 1139.92
    n-octanol 176.63
    chloroform 4076.46
    n-propyl acetate 1241.29
    acetic acid 1210.33
    dichloromethane 5132.98
    cyclohexanone 3159.1
    propylene glycol 238.38
    isopropyl acetate 1370.18
    DMAc 3516.41
    2-ethoxyethanol 901.86
    isopentanol 613.7
    n-heptane 42.42
    ethyl formate 1374.19
    1,2-dichloroethane 4669.29
    n-hexanol 414.46
    2-methoxyethanol 2184.18
    isobutyl acetate 571.88
    tetrachloromethane 244.81
    n-pentyl acetate 493.02
    transcutol 4306.34
    n-heptanol 160.14
    ethylbenzene 540.02
    MIBK 991.14
    2-propoxyethanol 919.28
    tert-butanol 557.93
    MTBE 917.19
    2-butoxyethanol 425.43
    propionic acid 948.62
    o-xylene 479.31
    formic acid 447.52
    diethyl ether 2269.16
    m-xylene 602.35
    p-xylene 517.45
    chlorobenzene 1742.96
    dimethyl carbonate 1356.61
    n-octane 21.4
    formamide 1720.99
    cyclopentanone 3359.46
    2-pentanone 2598.88
    anisole 1369.62
    cyclopentyl methyl ether 1377.28
    gamma-butyrolactone 3284.61
    1-methoxy-2-propanol 1303.64
    pyridine 4500.35
    3-pentanone 2105.92
    furfural 2734.12
    n-dodecane 18.94
    diethylene glycol 689.13
    diisopropyl ether 371.1
    tert-amyl alcohol 509.7
    acetylacetone 2701.98
    n-hexadecane 23.36
    acetophenone 1152.38
    methyl propionate 2864.91
    isopentyl acetate 827.7
    trichloroethylene 8614.64
    n-nonanol 163.58
    cyclohexanol 655.42
    benzyl alcohol 762.08
    2-ethylhexanol 253.42
    isooctanol 142.2
    dipropyl ether 415.69
    1,2-dichlorobenzene 1305.2
    ethyl lactate 390.88
    propylene carbonate 1616.79
    n-methylformamide 2841.56
    2-pentanol 513.12
    n-pentane 61.01
    1-propoxy-2-propanol 513.92
    1-methoxy-2-propyl acetate 1030.13
    2-(2-methoxypropoxy) propanol 503.35
    mesitylene 280.54
    ε-caprolactone 2268.32
    p-cymene 150.61
    epichlorohydrin 4702.93
    1,1,1-trichloroethane 2395.63
    2-aminoethanol 458.0
    morpholine-4-carbaldehyde 2651.74
    sulfolane 2439.4
    2,2,4-trimethylpentane 35.24
    2-methyltetrahydrofuran 1742.78
    n-hexyl acetate 765.26
    isooctane 31.74
    2-(2-butoxyethoxy)ethanol 751.91
    sec-butyl acetate 724.97
    tert-butyl acetate 1112.76
    decalin 78.04
    glycerin 381.37
    diglyme 1979.62
    acrylic acid 1048.73
    isopropyl myristate 238.13
    n-butyric acid 1415.33
    acetyl acetate 1654.57
    di(2-ethylhexyl) phthalate 170.9
    ethyl propionate 1252.49
    nitromethane 4962.43
    1,2-diethoxyethane 1163.94
    benzonitrile 1356.75
    trioctyl phosphate 125.89
    1-bromopropane 1652.26
    gamma-valerolactone 3732.11
    n-decanol 118.53
    triethyl phosphate 258.36
    4-methyl-2-pentanol 251.45
    propionitrile 1963.31
    vinylene carbonate 1753.18
    1,1,2-trichlorotrifluoroethane 2032.91
    DMS 1103.59
    cumene 218.2
    2-octanol 121.12
    2-hexanone 1125.41
    octyl acetate 301.08
    limonene 234.26
    1,2-dimethoxyethane 1867.52
    ethyl orthosilicate 228.07
    tributyl phosphate 205.46
    diacetone alcohol 1030.38
    N,N-dimethylaniline 559.91
    acrylonitrile 3156.8
    aniline 1305.97
    1,3-propanediol 714.63
    bromobenzene 2002.05
    dibromomethane 2743.65
    1,1,2,2-tetrachloroethane 5000.07
    2-methyl-cyclohexyl acetate 383.79
    tetrabutyl urea 269.81
    diisobutyl methanol 154.31
    2-phenylethanol 536.13
    styrene 936.54
    dioctyl adipate 362.1
    dimethyl sulfate 1493.18
    ethyl butyrate 750.16
    methyl lactate 721.0
    butyl lactate 346.29
    diethyl carbonate 517.14
    propanediol butyl ether 413.86
    triethyl orthoformate 379.86
    p-tert-butyltoluene 144.78
    methyl 4-tert-butylbenzoate 443.74
    morpholine 3071.6
    tert-butylamine 319.59
    n-dodecanol 89.87
    dimethoxymethane 2832.4
    ethylene carbonate 1321.5
    cyrene 423.56
    2-ethoxyethyl acetate 988.36
    2-ethylhexyl acetate 658.51
    1,2,4-trichlorobenzene 1411.01
    4-methylpyridine 3826.81
    dibutyl ether 440.27
    2,6-dimethyl-4-heptanol 154.31
    DEF 3362.6
    dimethyl isosorbide 825.1
    tetrachloroethylene 2616.74
    eugenol 488.78
    triacetin 755.72
    span 80 356.94
    1,4-butanediol 197.49
    1,1-dichloroethane 3284.7
    2-methyl-1-pentanol 432.4
    methyl formate 1912.09
    2-methyl-1-butanol 578.62
    n-decane 31.23
    butyronitrile 1628.17
    3,7-dimethyl-1-octanol 216.16
    1-chlorooctane 186.18
    1-chlorotetradecane 68.46
    n-nonane 29.45
    undecane 23.5
    tert-butylcyclohexane 61.58
    cyclooctane 52.18
    cyclopentanol 527.13
    tetrahydropyran 2463.53
    tert-amyl methyl ether 706.04
    2,5,8-trioxanonane 1014.24
    1-hexene 404.44
    2-isopropoxyethanol 540.18
    2,2,2-trifluoroethanol 462.95
    methyl butyrate 1556.79

    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

Botanical

Name CAS Botanical Proportion
Artemisia waltonii (China) Artemisia waltonii J.R. Drumm. ex Pamp., fam. Asteraceae (Compositae) 0.35%