Biformene

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  • Identifiers

    CAS number
    5957-33-5

    Molecular formula
    C20H32

    SMILES
    CC(=CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCCC2(C)C)C)C=C

  • Odor profile

    Woody 83.35%
    Sweet 56.98%
    Green 48.82%
    Oily 39.32%
    Dry 36.79%
    Citrus 36.67%
    Herbal 36.64%
    Balsamic 35.66%
    Spicy 35.65%
    Amber 35.32%

    Scent© AI

  • Properties

    XLogP3-AA
    7.2

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point est.
    140.09 ˚C

  • Synonyms

    • Biformene
    • 5957-33-5
    • DTXSID701318655

  • Applications

    Biformene (CAS 5957-33-5) is an unsaturated olefinic hydrocarbon used mainly as a synthetic intermediate and reference standard in organic and catalytic research; owing to its reactive double bond(s), it can undergo hydroformylation, epoxidation, hydroxylation, polymerization/oligomerization, and metal-catalyzed addition/coupling to deliver alcohols, aldehydes, epoxides, silicon-containing derivatives, or specialty polymers; in the fragrance–cosmetics industry, such hydrocarbons may be employed as volatility modifiers and tone-building materials in woody–citrus or pine-like accords where permitted by local regulations, while in materials science it serves as a building block for resins, plasticizer precursors, or performance additives; additionally, Biformene is used as a model substrate to benchmark catalyst activity/selectivity, to calibrate GC/MS systems (retention indices) for terpenoid hydrocarbons, and in toxicological and environmental fate studies, with safe handling requiring storage tightly closed under inert gas, away from oxygen/heat/light, and adherence to the current SDS.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 172.87
    methanol 59.01
    isopropanol 170.29
    water 0.02
    ethyl acetate 505.28
    n-propanol 223.22
    acetone 284.99
    n-butanol 295.55
    acetonitrile 84.58
    DMF 260.44
    toluene 1160.32
    isobutanol 190.34
    1,4-dioxane 898.36
    methyl acetate 225.66
    THF 1863.44
    2-butanone 441.91
    n-pentanol 155.55
    sec-butanol 195.8
    n-hexane 153.22
    ethylene glycol 3.2
    NMP 366.27
    cyclohexane 415.94
    DMSO 83.29
    n-butyl acetate 829.57
    n-octanol 146.48
    chloroform 658.55
    n-propyl acetate 273.13
    acetic acid 51.62
    dichloromethane 561.71
    cyclohexanone 821.64
    propylene glycol 11.47
    isopropyl acetate 495.39
    DMAc 336.71
    2-ethoxyethanol 123.02
    isopentanol 308.4
    n-heptane 222.05
    ethyl formate 113.63
    1,2-dichloroethane 444.76
    n-hexanol 461.49
    2-methoxyethanol 176.66
    isobutyl acetate 263.95
    tetrachloromethane 156.51
    n-pentyl acetate 373.84
    transcutol 1203.08
    n-heptanol 178.98
    ethylbenzene 321.67
    MIBK 434.31
    2-propoxyethanol 448.41
    tert-butanol 224.47
    MTBE 785.19
    2-butoxyethanol 235.66
    propionic acid 63.73
    o-xylene 416.47
    formic acid 7.59
    diethyl ether 1081.37
    m-xylene 635.91
    p-xylene 364.45
    chlorobenzene 492.1
    dimethyl carbonate 111.42
    n-octane 49.9
    formamide 15.35
    cyclopentanone 685.36
    2-pentanone 567.78
    anisole 421.38
    cyclopentyl methyl ether 1069.28
    gamma-butyrolactone 446.64
    1-methoxy-2-propanol 219.77
    pyridine 730.25
    3-pentanone 452.52
    furfural 301.44
    n-dodecane 24.97
    diethylene glycol 89.53
    diisopropyl ether 424.56
    tert-amyl alcohol 226.84
    acetylacetone 400.5
    n-hexadecane 30.68
    acetophenone 278.34
    methyl propionate 328.99
    isopentyl acetate 798.97
    trichloroethylene 670.53
    n-nonanol 154.33
    cyclohexanol 348.26
    benzyl alcohol 152.1
    2-ethylhexanol 388.1
    isooctanol 173.33
    dipropyl ether 933.76
    1,2-dichlorobenzene 368.3
    ethyl lactate 69.29
    propylene carbonate 279.1
    n-methylformamide 59.56
    2-pentanol 257.2
    n-pentane 202.23
    1-propoxy-2-propanol 481.52
    1-methoxy-2-propyl acetate 715.68
    2-(2-methoxypropoxy) propanol 301.14
    mesitylene 386.8
    ε-caprolactone 589.85
    p-cymene 294.67
    epichlorohydrin 637.95
    1,1,1-trichloroethane 480.8
    2-aminoethanol 19.1
    morpholine-4-carbaldehyde 455.96
    sulfolane 331.59
    2,2,4-trimethylpentane 93.94
    2-methyltetrahydrofuran 1329.5
    n-hexyl acetate 465.29
    isooctane 91.81
    2-(2-butoxyethoxy)ethanol 389.85
    sec-butyl acetate 295.9
    tert-butyl acetate 577.52
    decalin 126.01
    glycerin 16.63
    diglyme 750.65
    acrylic acid 35.44
    isopropyl myristate 220.32
    n-butyric acid 222.94
    acetyl acetate 256.21
    di(2-ethylhexyl) phthalate 166.59
    ethyl propionate 275.63
    nitromethane 85.01
    1,2-diethoxyethane 874.55
    benzonitrile 231.7
    trioctyl phosphate 116.22
    1-bromopropane 576.46
    gamma-valerolactone 693.98
    n-decanol 113.5
    triethyl phosphate 195.74
    4-methyl-2-pentanol 202.53
    propionitrile 174.34
    vinylene carbonate 213.93
    1,1,2-trichlorotrifluoroethane 164.75
    DMS 259.72
    cumene 207.91
    2-octanol 116.73
    2-hexanone 312.32
    octyl acetate 238.8
    limonene 443.62
    1,2-dimethoxyethane 439.27
    ethyl orthosilicate 231.86
    tributyl phosphate 141.71
    diacetone alcohol 310.18
    N,N-dimethylaniline 301.13
    acrylonitrile 115.56
    aniline 399.07
    1,3-propanediol 70.56
    bromobenzene 651.72
    dibromomethane 471.24
    1,1,2,2-tetrachloroethane 524.69
    2-methyl-cyclohexyl acetate 423.11
    tetrabutyl urea 181.71
    diisobutyl methanol 241.7
    2-phenylethanol 339.34
    styrene 354.63
    dioctyl adipate 253.65
    dimethyl sulfate 109.3
    ethyl butyrate 550.7
    methyl lactate 65.45
    butyl lactate 167.71
    diethyl carbonate 278.52
    propanediol butyl ether 125.67
    triethyl orthoformate 433.35
    p-tert-butyltoluene 312.89
    methyl 4-tert-butylbenzoate 341.05
    morpholine 942.22
    tert-butylamine 257.49
    n-dodecanol 84.71
    dimethoxymethane 465.3
    ethylene carbonate 216.6
    cyrene 184.62
    2-ethoxyethyl acetate 476.92
    2-ethylhexyl acetate 713.25
    1,2,4-trichlorobenzene 412.63
    4-methylpyridine 811.79
    dibutyl ether 429.47
    2,6-dimethyl-4-heptanol 241.7
    DEF 470.87
    dimethyl isosorbide 664.49
    tetrachloroethylene 312.61
    eugenol 226.49
    triacetin 314.6
    span 80 250.53
    1,4-butanediol 16.72
    1,1-dichloroethane 428.05
    2-methyl-1-pentanol 199.29
    methyl formate 45.24
    2-methyl-1-butanol 281.57
    n-decane 55.12
    butyronitrile 282.28
    3,7-dimethyl-1-octanol 214.23
    1-chlorooctane 190.44
    1-chlorotetradecane 74.12
    n-nonane 52.86
    undecane 35.34
    tert-butylcyclohexane 115.53
    cyclooctane 165.13
    cyclopentanol 214.24
    tetrahydropyran 1688.12
    tert-amyl methyl ether 556.61
    2,5,8-trioxanonane 477.19
    1-hexene 355.13
    2-isopropoxyethanol 133.82
    2,2,2-trifluoroethanol 16.66
    methyl butyrate 297.06

    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
Cypress 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.1%