Angelica polyclada tincture

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  • Identifiers

    CAS number
    84929-31-7

    Molecular formula
    C222H230N14O23S2

    SMILES
    CC=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)N=CC4)C(=O)C5CCCCC5.CC=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)N=C(O4)C)C(=O)C5CCCCC5.COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)NCCO4)C(=O)C5CCCCC5.COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)OCCO4)C(=O)C5CCCCC5.COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)NCCS4)C(=O)C5CCCCC5.COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=C(C=C3)NCCS4(=O)=O)C(=O)C5CCCCC5.COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=CC4=NC=CN=C4C=C3)C(=O)C5CCCCC5

    Safety labels

  • Odor profile

    Fragrance
    Fruity 55.5%
    Floral 50.19%
    Fresh 40.61%
    Green 34.95%
    Grape 30.54%
    Neroli 30.37%
    Citrus 27.03%
    Animal 26.67%
    Jasmin 26.45%
    Honey 26.33%

     

    Flavor
    Bitter 60.06%
    Animal 23.08%
    Odorless 21.01%
    Nitrile 20.75%
    Very strong 19.88%
    Cedarleaf 19.61%
    Indole 19.47%
    Oriental 19.13%
    Lovage 18.96%
    Heather 18.93%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.37 (neutral)

    Molecular weight
    3526.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1056°C

    Flash point

    • 247.82 ˚C est.

  • Synonyms

    • Angelica polyclada tincture
    • 84929-31-7
    • Rituximab (anti-CD20)
    • AS-85958
    • DA-77483
    • 84929-31-7

  • Applications

    Angelica polyclada tincture (CAS 84929-31-7) is commonly utilized as a botanical fragrance extract in perfumery, providing green, balsamic notes that can enhance aroma profiles; it is also used in cosmetics and personal care formulations as an aroma ingredient. In household products, it serves as a natural odorant additive to scented cleaners and air fresheners. In industrial manufacturing, it may function as an odorant or aroma component in coatings, inks, and adhesives formulations. In select food processing applications where permitted by regulation, it can be used as a natural flavor/aroma component. Overall, Angelica polyclada tincture is provisioned as a fragrance and aroma source across consumer, industrial, and possibly food-related product categories, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.24
    methanol 2.45
    isopropanol 2.25
    water 0.01
    ethyl acetate 16.12
    n-propanol 4.51
    acetone 9.17
    n-butanol 6.79
    acetonitrile 3.21
    DMF 9.3
    toluene 40.95
    isobutanol 4.02
    1,4-dioxane 20.88
    methyl acetate 10.83
    THF 52.08
    2-butanone 21.51
    n-pentanol 7.8
    sec-butanol 4.99
    n-hexane 1.02
    ethylene glycol 0.38
    NMP 17.02
    cyclohexane 1.74
    DMSO 6.61
    n-butyl acetate 19.8
    n-octanol 5.21
    chloroform 200.79
    n-propyl acetate 15.91
    acetic acid 8.77
    dichloromethane 171.95
    cyclohexanone 42.81
    propylene glycol 1.11
    isopropyl acetate 15.42
    DMAc 35.66
    2-ethoxyethanol 11.84
    isopentanol 8.45
    n-heptane 1.15
    ethyl formate 8.72
    1,2-dichloroethane 59.67
    n-hexanol 7.8
    2-methoxyethanol 8.77
    isobutyl acetate 15.99
    tetrachloromethane 11.27
    n-pentyl acetate 22.4
    transcutol 72.68
    n-heptanol 6.69
    ethylbenzene 17.05
    MIBK 17.29
    2-propoxyethanol 19.22
    tert-butanol 2.72
    MTBE 7.74
    2-butoxyethanol 19.03
    propionic acid 6.72
    o-xylene 15.16
    formic acid 2.56
    diethyl ether 10.29
    m-xylene 19.28
    p-xylene 16.73
    chlorobenzene 46.73
    dimethyl carbonate 10.73
    n-octane 0.64
    formamide 3.8
    cyclopentanone 32.95
    2-pentanone 19.54
    anisole 25.47
    cyclopentyl methyl ether 19.12
    gamma-butyrolactone 30.89
    1-methoxy-2-propanol 10.38
    pyridine 48.44
    3-pentanone 19.58
    furfural 38.74
    n-dodecane 0.69
    diethylene glycol 6.99
    diisopropyl ether 4.01
    tert-amyl alcohol 5.49
    acetylacetone 24.35
    n-hexadecane 0.83
    acetophenone 27.35
    methyl propionate 15.13
    isopentyl acetate 24.4
    trichloroethylene 171.04
    n-nonanol 7.13
    cyclohexanol 8.6
    benzyl alcohol 19.08
    2-ethylhexanol 8.61
    isooctanol 7.89
    dipropyl ether 10.83
    1,2-dichlorobenzene 44.18
    ethyl lactate 9.6
    propylene carbonate 22.53
    n-methylformamide 4.45
    2-pentanol 5.34
    n-pentane 0.86
    1-propoxy-2-propanol 15.66
    1-methoxy-2-propyl acetate 29.72
    2-(2-methoxypropoxy) propanol 27.24
    mesitylene 8.64
    ε-caprolactone 35.44
    p-cymene 8.57
    epichlorohydrin 73.51
    1,1,1-trichloroethane 46.68
    2-aminoethanol 1.39
    morpholine-4-carbaldehyde 25.93
    sulfolane 29.65
    2,2,4-trimethylpentane 1.08
    2-methyltetrahydrofuran 23.93
    n-hexyl acetate 21.75
    isooctane 0.6
    2-(2-butoxyethoxy)ethanol 31.67
    sec-butyl acetate 16.66
    tert-butyl acetate 17.13
    decalin 1.88
    glycerin 2.31
    diglyme 55.41
    acrylic acid 6.97
    isopropyl myristate 11.6
    n-butyric acid 15.82
    acetyl acetate 13.57
    di(2-ethylhexyl) phthalate 16.33
    ethyl propionate 16.05
    nitromethane 13.1
    1,2-diethoxyethane 29.9
    benzonitrile 20.62
    trioctyl phosphate 8.82
    1-bromopropane 33.2
    gamma-valerolactone 53.09
    n-decanol 5.41
    triethyl phosphate 11.84
    4-methyl-2-pentanol 5.74
    propionitrile 6.69
    vinylene carbonate 26.57
    1,1,2-trichlorotrifluoroethane 42.9
    DMS 19.73
    cumene 10.29
    2-octanol 5.03
    2-hexanone 20.98
    octyl acetate 13.2
    limonene 9.01
    1,2-dimethoxyethane 23.56
    ethyl orthosilicate 13.46
    tributyl phosphate 11.21
    diacetone alcohol 15.55
    N,N-dimethylaniline 16.23
    acrylonitrile 8.13
    aniline 22.94
    1,3-propanediol 3.48
    bromobenzene 61.54
    dibromomethane 91.55
    1,1,2,2-tetrachloroethane 112.48
    2-methyl-cyclohexyl acetate 21.8
    tetrabutyl urea 15.38
    diisobutyl methanol 6.12
    2-phenylethanol 21.12
    styrene 19.76
    dioctyl adipate 19.03
    dimethyl sulfate 14.38
    ethyl butyrate 18.38
    methyl lactate 8.24
    butyl lactate 17.3
    diethyl carbonate 13.02
    propanediol butyl ether 11.2
    triethyl orthoformate 17.63
    p-tert-butyltoluene 6.94
    methyl 4-tert-butylbenzoate 27.14
    morpholine 20.64
    tert-butylamine 1.86
    n-dodecanol 4.17
    dimethoxymethane 15.36
    ethylene carbonate 19.35
    cyrene 24.34
    2-ethoxyethyl acetate 34.42
    2-ethylhexyl acetate 20.93
    1,2,4-trichlorobenzene 55.06
    4-methylpyridine 41.4
    dibutyl ether 12.18
    2,6-dimethyl-4-heptanol 6.12
    DEF 17.85
    dimethyl isosorbide 44.02
    tetrachloroethylene 64.52
    eugenol 27.98
    triacetin 25.57
    span 80 20.64
    1,4-butanediol 1.95
    1,1-dichloroethane 44.44
    2-methyl-1-pentanol 12.26
    methyl formate 5.11
    2-methyl-1-butanol 8.37
    n-decane 1.2
    butyronitrile 8.82
    3,7-dimethyl-1-octanol 8.28
    1-chlorooctane 6.01
    1-chlorotetradecane 2.77
    n-nonane 0.89
    undecane 0.87
    tert-butylcyclohexane 1.48
    cyclooctane 0.84
    cyclopentanol 5.41
    tetrahydropyran 23.31
    tert-amyl methyl ether 9.68
    2,5,8-trioxanonane 41.54
    1-hexene 6.01
    2-isopropoxyethanol 12.29
    2,2,2-trifluoroethanol 3.97
    methyl butyrate 18.6

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 2 % Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 2 % Category 7B
Leave-on products applied to the hair with some hand contact
 2 %
Category 3
Products applied to the face/body using fingertips
 2 % Category 8
Products with significant anogenital exposure
 2 %
Category 4
Products related to fine fragrance
 2 % 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
 2 % 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
 2 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 2 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 2 % 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
 2 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 2 %
Category 6
Products with oral and lip exposure
 2 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction