cis-Stilbene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    645-49-8

    Molecular formula
    C14H12

    SMILES
    C1=CC=C(C=C1)/C=C\C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1525.0

  • Odor profile

    Sweet 68.45%
    Balsamic 62.38%
    Rose 55.17%
    Spicy 54.55%
    Green 53.83%
    Floral 44.37%
    Metallic 39.55%
    Cinnamon 38.7%
    Geranium 36.09%
    Honey 31.02%

    Scent© AI

  • Properties

    XLogP3-AA
    4.8

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 41 to 43 °F (NTP, 1992)
    • 1 °C

    Boiling point

    • 293 °F at 13 mmHg (NTP, 1992)
    • 135 DEG @ 10 MM HG

    Flash point est.
    139.75 ˚C

    Solubility expt.

    • COMPLETELY SOL IN COLD ABSOLUTE ALCOHOL

  • Synonyms

    • cis-Stilbene
    • (Z)-Stilbene
    • 645-49-8
    • (Z)-1,2-Diphenylethene
    • cis-1,2-Diphenylethylene
    • Isostilbene
    • cis-Diphenylethene
    • Stilbene, (Z)-
    • Z-stilbene
    • [(Z)-2-Phenylethenyl]benzene
    • (Z)-1,2-Diphenylethylene
    • CCRIS 5932
    • Benzene, 1,1'-(1,2-ethenediyl)bis-, (Z)-
    • HSDB 4270
    • Stilbene, cis-
    • EINECS 211-445-7
    • NSC 66424
    • 1,1'-(Z)-ethene-1,2-diyldibenzene
    • TTG5048Y3K
    • DTXSID5026049
    • CHEBI:36008
    • Benzene, 1,1'-(1Z)-1,2-ethenediylbis-
    • 1,cis-2-Diphenylethene
    • cis-1,2-Diphenylethene
    • STILBENE CIS-FORM
    • 1,cis-2-Diphenylethylene
    • MFCD00004788
    • NSC-66424
    • (Z)-(1,2-ethenediyl)-1,1-bisbenzene
    • (Z)-1,1'-(1,2-ethenediyl)bisbenzene
    • 1,1'-[(1Z)-ethene-1,2-diyl]dibenzene
    • DTXCID406049
    • STILBENE CIS-FORM [MI]
    • CIS-1,2-DIPHENYLETHYLENE [HSDB]
    • [Z]-1,2-diphenylethene
    • ((Z)-2-phenylethenyl)benzene
    • 1,1'-((1Z)-ethene-1,2-diyl)dibenzene
    • UNII-TTG5048Y3K
    • cisStilbene
    • cisDiphenylethene
    • Dibenzal (cis)
    • (Z)Stilbene
    • cis-Stilbene, 96%
    • Stilbene, (Z)-(8CI)
    • MLS001050167
    • 1,2-Diphenylethene, (Z)-
    • CHEMBL393702
    • [(1Z)-2-phenylethenyl]benzene
    • [(Z)-2-Phenylethenyl]benzene #
    • NSC66424
    • Tox21_200350
    • NSC126882
    • AKOS016010738
    • CS-W016007
    • NSC-126882
    • NCGC00091103-01
    • NCGC00091103-02
    • NCGC00257904-01
    • AS-57837
    • CAS-645-49-8
    • SMR001216580
    • Benzene, 1,1'(1,2ethenediyl)bis, (Z)
    • 1,1'-(1,2-Ethanediyl)bis[benzene], cis
    • Benzene,1'-(1,2-ethenediyl)bis-, (Z)-
    • NS00073876
    • S0089
    • (1,2-Ethenediyl)-1,1'-bisbenzene, (Z)-
    • Benzene, 1,1'-(1,2-ethenedyl)bis-, (Z)-
    • A800711
    • A834808
    • Q3244815
    • Benzene, 1,1'-(1,2-ethenediyl)bis-, (Z)-(9CI)
    • 211-445-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.15
    methanol 2.17
    isopropanol 1.98
    water 0.0
    ethyl acetate 53.91
    n-propanol 3.79
    acetone 28.83
    n-butanol 3.72
    acetonitrile 12.81
    DMF 50.62
    toluene 63.76
    isobutanol 2.57
    1,4-dioxane 109.44
    methyl acetate 36.06
    THF 202.87
    2-butanone 44.0
    n-pentanol 4.54
    sec-butanol 3.61
    n-hexane 6.72
    ethylene glycol 0.98
    NMP 75.65
    cyclohexane 10.38
    DMSO 38.83
    n-butyl acetate 51.96
    n-octanol 3.91
    chloroform 104.75
    n-propyl acetate 39.06
    acetic acid 9.21
    dichloromethane 131.92
    cyclohexanone 71.17
    propylene glycol 2.19
    isopropyl acetate 40.03
    DMAc 80.46
    2-ethoxyethanol 12.5
    isopentanol 4.22
    n-heptane 8.05
    ethyl formate 17.26
    1,2-dichloroethane 122.01
    n-hexanol 6.83
    2-methoxyethanol 13.58
    isobutyl acetate 29.93
    tetrachloromethane 11.43
    n-pentyl acetate 21.21
    transcutol 136.27
    n-heptanol 3.8
    ethylbenzene 49.14
    MIBK 29.09
    2-propoxyethanol 15.61
    tert-butanol 4.58
    MTBE 19.75
    2-butoxyethanol 9.52
    propionic acid 8.53
    o-xylene 38.13
    formic acid 1.44
    diethyl ether 36.23
    m-xylene 34.34
    p-xylene 41.75
    chlorobenzene 45.13
    dimethyl carbonate 32.73
    n-octane 2.85
    formamide 4.95
    cyclopentanone 129.8
    2-pentanone 36.18
    anisole 105.35
    cyclopentyl methyl ether 65.98
    gamma-butyrolactone 121.88
    1-methoxy-2-propanol 13.37
    pyridine 123.36
    3-pentanone 48.48
    furfural 92.25
    n-dodecane 2.0
    diethylene glycol 9.16
    diisopropyl ether 17.46
    tert-amyl alcohol 6.7
    acetylacetone 86.97
    n-hexadecane 2.5
    acetophenone 74.61
    methyl propionate 40.68
    isopentyl acetate 53.07
    trichloroethylene 224.29
    n-nonanol 4.89
    cyclohexanol 6.36
    benzyl alcohol 19.5
    2-ethylhexanol 10.2
    isooctanol 4.25
    dipropyl ether 62.8
    1,2-dichlorobenzene 63.4
    ethyl lactate 14.5
    propylene carbonate 65.78
    n-methylformamide 10.01
    2-pentanol 3.67
    n-pentane 2.53
    1-propoxy-2-propanol 18.49
    1-methoxy-2-propyl acetate 74.6
    2-(2-methoxypropoxy) propanol 38.08
    mesitylene 27.16
    ε-caprolactone 59.02
    p-cymene 28.38
    epichlorohydrin 154.77
    1,1,1-trichloroethane 86.09
    2-aminoethanol 2.09
    morpholine-4-carbaldehyde 76.71
    sulfolane 134.4
    2,2,4-trimethylpentane 3.72
    2-methyltetrahydrofuran 79.95
    n-hexyl acetate 25.7
    isooctane 2.87
    2-(2-butoxyethoxy)ethanol 33.61
    sec-butyl acetate 38.9
    tert-butyl acetate 60.54
    decalin 14.32
    glycerin 4.1
    diglyme 110.71
    acrylic acid 9.62
    isopropyl myristate 22.74
    n-butyric acid 13.96
    acetyl acetate 63.09
    di(2-ethylhexyl) phthalate 18.42
    ethyl propionate 55.26
    nitromethane 36.03
    1,2-diethoxyethane 94.57
    benzonitrile 29.52
    trioctyl phosphate 8.31
    1-bromopropane 42.74
    gamma-valerolactone 107.67
    n-decanol 4.06
    triethyl phosphate 43.56
    4-methyl-2-pentanol 4.06
    propionitrile 14.13
    vinylene carbonate 53.77
    1,1,2-trichlorotrifluoroethane 57.6
    DMS 60.63
    cumene 30.15
    2-octanol 2.97
    2-hexanone 36.76
    octyl acetate 19.34
    limonene 35.08
    1,2-dimethoxyethane 72.19
    ethyl orthosilicate 39.56
    tributyl phosphate 14.85
    diacetone alcohol 30.32
    N,N-dimethylaniline 67.05
    acrylonitrile 19.77
    aniline 25.45
    1,3-propanediol 3.13
    bromobenzene 74.12
    dibromomethane 77.62
    1,1,2,2-tetrachloroethane 163.73
    2-methyl-cyclohexyl acetate 56.03
    tetrabutyl urea 21.69
    diisobutyl methanol 13.32
    2-phenylethanol 19.82
    styrene 60.71
    dioctyl adipate 43.35
    dimethyl sulfate 59.04
    ethyl butyrate 78.03
    methyl lactate 13.65
    butyl lactate 12.99
    diethyl carbonate 58.92
    propanediol butyl ether 8.3
    triethyl orthoformate 61.0
    p-tert-butyltoluene 29.61
    methyl 4-tert-butylbenzoate 54.75
    morpholine 69.13
    tert-butylamine 3.81
    n-dodecanol 3.78
    dimethoxymethane 52.51
    ethylene carbonate 38.3
    cyrene 37.22
    2-ethoxyethyl acetate 44.72
    2-ethylhexyl acetate 51.86
    1,2,4-trichlorobenzene 83.83
    4-methylpyridine 69.86
    dibutyl ether 32.58
    2,6-dimethyl-4-heptanol 13.32
    DEF 49.81
    dimethyl isosorbide 123.26
    tetrachloroethylene 76.45
    eugenol 30.3
    triacetin 56.38
    span 80 23.94
    1,4-butanediol 1.62
    1,1-dichloroethane 44.68
    2-methyl-1-pentanol 6.74
    methyl formate 11.93
    2-methyl-1-butanol 4.52
    n-decane 3.16
    butyronitrile 12.36
    3,7-dimethyl-1-octanol 8.11
    1-chlorooctane 11.45
    1-chlorotetradecane 6.57
    n-nonane 2.9
    undecane 2.38
    tert-butylcyclohexane 12.08
    cyclooctane 6.77
    cyclopentanol 8.87
    tetrahydropyran 66.33
    tert-amyl methyl ether 25.93
    2,5,8-trioxanonane 91.73
    1-hexene 17.11
    2-isopropoxyethanol 11.45
    2,2,2-trifluoroethanol 4.03
    methyl butyrate 52.09

    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
Petiveria alliaceae (Benin) Petiveria alliaceae L., fam. Phytolaccaceae 1.3%