Capillene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    520-74-1

    Molecular formula
    C12H10

    SMILES
    CC#CC#CCC1=CC=CC=C1

  • Odor profile

    Sweet 72.88%
    Spicy 41.21%
    Floral 37.99%
    Anisic 31.15%
    Cinnamon 30.04%
    Metallic 25.69%
    Green 25.61%
    Powdery 24.63%
    Balsamic 24.14%
    Warm 21.37%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 0 °C

    Boiling point

    • 140.00 to 143.00 °C. @ 10.00 mm Hg

    Flash point est.
    120.25 ˚C

  • Synonyms

    • Capillene
    • Agropyrene
    • Benzene, 2,4-hexadiynyl-
    • 520-74-1
    • hexa-2,4-diynylbenzene
    • Capillen
    • Hexa-2,4-diyn-1-ylbenzene
    • Capilline
    • 2,4-Hexadiynyl-Benzene
    • 1-Phenyl-2,4-hexadiyne
    • 1-phenyl-hexa-2,4-diyne
    • 2,4-Hexadiyne, 1-phenyl-
    • 2,4-Hexadiynylbenzene, 9CI
    • Benzene, 2,4-hexadiyn-1-yl-
    • CHEMBL4470219
    • CHEBI:80802
    • DTXSID30199971
    • WXQYRBLGGSLJHA-UHFFFAOYSA-N
    • C16927
    • Q27149845

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.17
    methanol 306.41
    isopropanol 183.1
    water 0.15
    ethyl acetate 1418.03
    n-propanol 278.88
    acetone 1448.26
    n-butanol 259.67
    acetonitrile 917.42
    DMF 1120.43
    toluene 586.65
    isobutanol 182.64
    1,4-dioxane 2073.58
    methyl acetate 1145.14
    THF 1455.31
    2-butanone 1111.86
    n-pentanol 233.31
    sec-butanol 207.63
    n-hexane 205.9
    ethylene glycol 114.18
    NMP 738.14
    cyclohexane 207.69
    DMSO 1439.2
    n-butyl acetate 857.03
    n-octanol 125.72
    chloroform 2133.22
    n-propyl acetate 714.27
    acetic acid 451.7
    dichloromethane 2274.85
    cyclohexanone 1085.02
    propylene glycol 147.13
    isopropyl acetate 663.21
    DMAc 951.95
    2-ethoxyethanol 514.92
    isopentanol 236.07
    n-heptane 110.85
    ethyl formate 410.58
    1,2-dichloroethane 2022.25
    n-hexanol 301.99
    2-methoxyethanol 689.19
    isobutyl acetate 450.51
    tetrachloromethane 268.44
    n-pentyl acetate 317.23
    transcutol 2910.63
    n-heptanol 109.15
    ethylbenzene 304.55
    MIBK 487.39
    2-propoxyethanol 637.45
    tert-butanol 307.05
    MTBE 671.52
    2-butoxyethanol 275.39
    propionic acid 370.3
    o-xylene 238.87
    formic acid 116.97
    diethyl ether 1323.33
    m-xylene 276.22
    p-xylene 319.17
    chlorobenzene 665.07
    dimethyl carbonate 535.02
    n-octane 37.77
    formamide 268.95
    cyclopentanone 1180.81
    2-pentanone 864.66
    anisole 801.22
    cyclopentyl methyl ether 787.49
    gamma-butyrolactone 1112.62
    1-methoxy-2-propanol 478.93
    pyridine 1411.58
    3-pentanone 883.88
    furfural 1081.64
    n-dodecane 27.15
    diethylene glycol 437.55
    diisopropyl ether 369.67
    tert-amyl alcohol 277.7
    acetylacetone 1269.26
    n-hexadecane 32.59
    acetophenone 568.42
    methyl propionate 929.36
    isopentyl acetate 657.0
    trichloroethylene 2991.83
    n-nonanol 124.1
    cyclohexanol 237.94
    benzyl alcohol 315.85
    2-ethylhexanol 249.93
    isooctanol 106.8
    dipropyl ether 677.49
    1,2-dichlorobenzene 596.92
    ethyl lactate 243.33
    propylene carbonate 615.31
    n-methylformamide 408.75
    2-pentanol 199.34
    n-pentane 95.54
    1-propoxy-2-propanol 474.32
    1-methoxy-2-propyl acetate 772.78
    2-(2-methoxypropoxy) propanol 464.37
    mesitylene 184.61
    ε-caprolactone 818.47
    p-cymene 150.02
    epichlorohydrin 1704.16
    1,1,1-trichloroethane 1390.31
    2-aminoethanol 174.47
    morpholine-4-carbaldehyde 1199.39
    sulfolane 1266.52
    2,2,4-trimethylpentane 55.01
    2-methyltetrahydrofuran 1046.31
    n-hexyl acetate 477.23
    isooctane 52.28
    2-(2-butoxyethoxy)ethanol 572.87
    sec-butyl acetate 510.04
    tert-butyl acetate 764.23
    decalin 125.69
    glycerin 219.15
    diglyme 1415.29
    acrylic acid 361.87
    isopropyl myristate 231.23
    n-butyric acid 462.42
    acetyl acetate 930.08
    di(2-ethylhexyl) phthalate 170.98
    ethyl propionate 717.97
    nitromethane 1495.51
    1,2-diethoxyethane 1291.65
    benzonitrile 438.44
    trioctyl phosphate 115.02
    1-bromopropane 856.64
    gamma-valerolactone 1423.37
    n-decanol 100.82
    triethyl phosphate 272.73
    4-methyl-2-pentanol 145.95
    propionitrile 563.94
    vinylene carbonate 626.85
    1,1,2-trichlorotrifluoroethane 1056.19
    DMS 707.48
    cumene 181.92
    2-octanol 76.69
    2-hexanone 673.35
    octyl acetate 243.53
    limonene 241.08
    1,2-dimethoxyethane 1254.58
    ethyl orthosilicate 269.6
    tributyl phosphate 183.31
    diacetone alcohol 522.56
    N,N-dimethylaniline 411.6
    acrylonitrile 709.85
    aniline 424.35
    1,3-propanediol 233.56
    bromobenzene 846.19
    dibromomethane 1423.44
    1,1,2,2-tetrachloroethane 2217.75
    2-methyl-cyclohexyl acetate 413.25
    tetrabutyl urea 220.55
    diisobutyl methanol 173.61
    2-phenylethanol 331.44
    styrene 487.62
    dioctyl adipate 338.36
    dimethyl sulfate 753.66
    ethyl butyrate 659.33
    methyl lactate 284.59
    butyl lactate 219.12
    diethyl carbonate 455.63
    propanediol butyl ether 245.84
    triethyl orthoformate 438.98
    p-tert-butyltoluene 150.16
    methyl 4-tert-butylbenzoate 360.33
    morpholine 1569.24
    tert-butylamine 224.53
    n-dodecanol 87.46
    dimethoxymethane 971.51
    ethylene carbonate 524.53
    cyrene 347.4
    2-ethoxyethyl acetate 637.76
    2-ethylhexyl acetate 562.85
    1,2,4-trichlorobenzene 729.64
    4-methylpyridine 983.45
    dibutyl ether 486.76
    2,6-dimethyl-4-heptanol 173.61
    DEF 919.22
    dimethyl isosorbide 762.46
    tetrachloroethylene 1233.41
    eugenol 364.3
    triacetin 599.57
    span 80 320.01
    1,4-butanediol 108.66
    1,1-dichloroethane 1262.05
    2-methyl-1-pentanol 248.37
    methyl formate 377.31
    2-methyl-1-butanol 232.67
    n-decane 44.68
    butyronitrile 463.72
    3,7-dimethyl-1-octanol 192.75
    1-chlorooctane 182.85
    1-chlorotetradecane 82.14
    n-nonane 47.42
    undecane 33.4
    tert-butylcyclohexane 114.21
    cyclooctane 92.86
    cyclopentanol 200.71
    tetrahydropyran 1308.54
    tert-amyl methyl ether 502.57
    2,5,8-trioxanonane 912.6
    1-hexene 498.33
    2-isopropoxyethanol 375.58
    2,2,2-trifluoroethanol 151.9
    methyl butyrate 751.99

    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 pubescens (China) Artemisia pubescens Ledeb., fam. Asteraceae (Labiatae) 53.31%
Artemisia waltonii (China) Artemisia waltonii J.R. Drumm. ex Pamp., fam. Asteraceae (Compositae) 0.8%
Artemisia scoparia (India) 2 Artemisia scoparia Waldst. et Kit., fam. Asteraceae (Compositae) 3.2%
Tarragon (USA) 5 8016-88-4 Artemisia dracunculus L. var. dracunculus, fam. Asteraceae (Compositae) 4.8%