Bitalin A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    35844-67-8

    Molecular formula
    C13H14O3

    SMILES
    CC(=O)C1=CC2=C(C=C1)O[C@H](C2)C(=C)CO

    Safety labels

  • Odor profile

    Fragrance
    Sweet 64.41%
    Floral 57.69%
    Vanilla 42.81%
    Powdery 34.92%
    Creamy 33.84%
    Hay 30.09%
    Woody 27.1%
    Caramellic 27.09%
    Spicy 26.37%
    Hawthorn 25.93%

     

    Flavor
    Bitter 54.19%
    Sweet 39.35%
    Powdery 26.53%
    Fruity 22.76%
    Vanilla 22.14%
    Orange flower 20.85%
    Heliotropin 20.2%
    Caramel 19.89%
    Fenugreek 19.88%
    Seedy 19.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.34 (weak base)

    Molecular weight
    218.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    390°C

    Flash point

    • 163.49 ˚C est.

  • Synonyms

    • BITALIN A
    • DTXSID301318603
    • 35844-67-8
    • 1-((2R)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl)ethanone
    • 1-[(2R)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
    • RefChem:917361
    • 1-((2S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl)ethanone
    • DTXCID501748408
    • 1-[(2R)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-one
    • 35844-67-8

  • Applications

    Bitalin A (CAS 35844-67-8) is primarily used as an intermediate and processing aid in chemical manufacturing. It is commonly evaluated for use as a solvent or co-solvent in industrial formulations, and as a stabilizer or plasticizer in polymer systems. It may also function as an odorant or fragrance fixative in perfumery-related applications, and can be considered for coatings, inks, and adhesive formulations. In some contexts, it appears in cleaning products or formulation additives, depending on specific property requirements; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 160.43
    methanol 319.48
    isopropanol 192.2
    water 4.22
    ethyl acetate 204.38
    n-propanol 127.79
    acetone 259.39
    n-butanol 119.29
    acetonitrile 229.14
    DMF 388.55
    toluene 22.25
    isobutanol 97.13
    1,4-dioxane 484.14
    methyl acetate 218.49
    THF 357.57
    2-butanone 174.0
    n-pentanol 94.8
    sec-butanol 112.47
    n-hexane 0.64
    ethylene glycol 152.35
    NMP 100.28
    cyclohexane 1.45
    DMSO 314.99
    n-butyl acetate 69.37
    n-octanol 38.72
    chloroform 207.23
    n-propyl acetate 105.84
    acetic acid 237.24
    dichloromethane 186.08
    cyclohexanone 138.65
    propylene glycol 195.53
    isopropyl acetate 111.0
    DMAc 378.22
    2-ethoxyethanol 404.88
    isopentanol 132.19
    n-heptane 1.22
    ethyl formate 131.6
    1,2-dichloroethane 105.16
    n-hexanol 64.06
    2-methoxyethanol 595.6
    isobutyl acetate 76.98
    tetrachloromethane 11.9
    n-pentyl acetate 44.13
    transcutol 912.12
    n-heptanol 37.0
    ethylbenzene 17.78
    MIBK 97.09
    2-propoxyethanol 244.94
    tert-butanol 274.48
    MTBE 94.42
    2-butoxyethanol 115.71
    propionic acid 129.99
    o-xylene 19.78
    formic acid 216.01
    diethyl ether 87.04
    m-xylene 22.68
    p-xylene 27.07
    chlorobenzene 43.18
    dimethyl carbonate 106.42
    n-octane 1.26
    formamide 427.37
    cyclopentanone 171.56
    2-pentanone 121.86
    anisole 93.76
    cyclopentyl methyl ether 76.65
    gamma-butyrolactone 190.84
    1-methoxy-2-propanol 418.31
    pyridine 132.54
    3-pentanone 74.78
    furfural 224.99
    n-dodecane 2.13
    diethylene glycol 362.21
    diisopropyl ether 21.04
    tert-amyl alcohol 132.64
    acetylacetone 200.45
    n-hexadecane 2.37
    acetophenone 93.78
    methyl propionate 134.04
    isopentyl acetate 74.97
    trichloroethylene 235.04
    n-nonanol 39.39
    cyclohexanol 71.03
    benzyl alcohol 108.52
    2-ethylhexanol 34.95
    isooctanol 35.59
    dipropyl ether 31.18
    1,2-dichlorobenzene 45.52
    ethyl lactate 87.96
    propylene carbonate 120.04
    n-methylformamide 236.3
    2-pentanol 82.82
    n-pentane 0.62
    1-propoxy-2-propanol 136.74
    1-methoxy-2-propyl acetate 130.33
    2-(2-methoxypropoxy) propanol 149.64
    mesitylene 15.0
    ε-caprolactone 130.35
    p-cymene 13.67
    epichlorohydrin 275.21
    1,1,1-trichloroethane 68.15
    2-aminoethanol 195.63
    morpholine-4-carbaldehyde 332.89
    sulfolane 168.48
    2,2,4-trimethylpentane 1.57
    2-methyltetrahydrofuran 127.58
    n-hexyl acetate 69.51
    isooctane 1.58
    2-(2-butoxyethoxy)ethanol 222.64
    sec-butyl acetate 75.49
    tert-butyl acetate 107.33
    decalin 2.2
    glycerin 302.09
    diglyme 374.03
    acrylic acid 123.56
    isopropyl myristate 32.97
    n-butyric acid 159.3
    acetyl acetate 114.47
    di(2-ethylhexyl) phthalate 40.93
    ethyl propionate 84.81
    nitromethane 494.41
    1,2-diethoxyethane 162.82
    benzonitrile 89.74
    trioctyl phosphate 27.54
    1-bromopropane 30.29
    gamma-valerolactone 299.53
    n-decanol 31.63
    triethyl phosphate 38.85
    4-methyl-2-pentanol 63.18
    propionitrile 121.91
    vinylene carbonate 128.27
    1,1,2-trichlorotrifluoroethane 207.49
    DMS 91.55
    cumene 16.18
    2-octanol 27.17
    2-hexanone 90.39
    octyl acetate 39.83
    limonene 16.58
    1,2-dimethoxyethane 414.76
    ethyl orthosilicate 35.72
    tributyl phosphate 35.85
    diacetone alcohol 177.91
    N,N-dimethylaniline 58.45
    acrylonitrile 175.34
    aniline 74.03
    1,3-propanediol 292.06
    bromobenzene 33.52
    dibromomethane 76.77
    1,1,2,2-tetrachloroethane 166.61
    2-methyl-cyclohexyl acetate 54.94
    tetrabutyl urea 47.38
    diisobutyl methanol 26.4
    2-phenylethanol 78.74
    styrene 22.39
    dioctyl adipate 50.32
    dimethyl sulfate 129.66
    ethyl butyrate 59.79
    methyl lactate 129.65
    butyl lactate 58.67
    diethyl carbonate 52.22
    propanediol butyl ether 132.43
    triethyl orthoformate 49.8
    p-tert-butyltoluene 13.0
    methyl 4-tert-butylbenzoate 75.86
    morpholine 437.9
    tert-butylamine 81.6
    n-dodecanol 25.2
    dimethoxymethane 342.02
    ethylene carbonate 112.01
    cyrene 120.89
    2-ethoxyethyl acetate 107.54
    2-ethylhexyl acetate 50.8
    1,2,4-trichlorobenzene 56.29
    4-methylpyridine 118.77
    dibutyl ether 42.06
    2,6-dimethyl-4-heptanol 26.4
    DEF 130.86
    dimethyl isosorbide 175.15
    tetrachloroethylene 89.07
    eugenol 94.59
    triacetin 105.44
    span 80 91.85
    1,4-butanediol 140.18
    1,1-dichloroethane 97.38
    2-methyl-1-pentanol 86.74
    methyl formate 210.83
    2-methyl-1-butanol 87.44
    n-decane 2.98
    butyronitrile 108.43
    3,7-dimethyl-1-octanol 47.51
    1-chlorooctane 15.33
    1-chlorotetradecane 8.08
    n-nonane 2.23
    undecane 2.44
    tert-butylcyclohexane 2.3
    cyclooctane 0.78
    cyclopentanol 73.77
    tetrahydropyran 147.07
    tert-amyl methyl ether 60.52
    2,5,8-trioxanonane 273.41
    1-hexene 5.89
    2-isopropoxyethanol 229.59
    2,2,2-trifluoroethanol 134.09
    methyl butyrate 107.77

    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