CID 6419898

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  • Identifiers

    CAS number
    8025-81-8

    Molecular formula
    C43H74N2O14

    SMILES
    C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 59.32%
    Roasted 22.8%
    Savory 20.98%
    Milky 20.12%
    Meaty 18.96%
    Cooling 18.59%
    Nutty 16.98%
    Mint 16.81%
    Sweet 16.6%
    Vanilla 15.97%

     

    Flavor
    Bitter 51.72%
    Fatty 29.57%
    Odorless 23.31%
    Sweet-like 23.18%
    Minty 23.13%
    Metallic 22.91%
    Cauliflower 21.64%
    Cedarleaf 21.57%
    Sweet 21.48%
    Mentholic 20.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.44 (neutral)

    Molecular weight
    843.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1145°C

    Flash point

    • 128.1 ˚C est.

    Solubility expt.

    • Slightly soluble in water
    • Soluble in most organic solvents

  • Synonyms

    • spiramycin
    • 8025-81-8
    • Formacidine
    • Spiramycin base
    • Prestwick_121
    • ST075006
    • Prestwick2_000745
    • Prestwick3_000745
    • BPBio1_000804
    • SCHEMBL5032756
    • ACTOXUHEUCPTEW-JMRHEKERSA-N
    • AKOS015896378
    • AS29665
    • NS00000505
    • SR-01000872632
    • SR-01000872632-1
    • Spiramycin, European Pharmacopoeia (EP) Reference Standard
    • Spiramycin from Streptomyces sp., VETRANAL(TM), analytical standard
    • Spiramycin, Pharmaceutical Secondary Standard; Certified Reference Material
    • 2-{(2S,3S,14S,1R,4R,8R,15R)-2-[5-(4,5-dihydroxy-4,6-dimethyl(2H-3,4,5,6-tetrah ydropyran-2-yl)oxy)-4-(dimethylamino)-3-hydroxy-6-methyl(2H-3,4,5,6-tetrahydro pyran-2-yl)oxy]-14-[5-(dimethylamino)-6-methyl(2H-3,4,5,6-tetrahydropyran-2-yl )oxy]-4-hydroxy-3-

  • Applications

    CID 6419898 (CAS 8025-81-8) is commonly used as a solvent and processing aid in industrial formulations. In coatings and inks, it may serve as a carrier solvent; it is also used as an intermediate in the synthesis of specialty chemicals and can function as a processing aid in polymers/plastics. Additionally, in cosmetics/personal care, it may be used as a solvent for fragrance components or active ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 92.19
    methanol 331.31
    isopropanol 29.09
    water 0.97
    ethyl acetate 43.34
    n-propanol 73.32
    acetone 46.39
    n-butanol 39.08
    acetonitrile 16.13
    DMF 215.24
    toluene 10.58
    isobutanol 29.06
    1,4-dioxane 58.7
    methyl acetate 49.19
    THF 116.25
    2-butanone 53.48
    n-pentanol 21.01
    sec-butanol 28.19
    n-hexane 0.29
    ethylene glycol 54.81
    NMP 448.08
    cyclohexane 0.58
    DMSO 214.17
    n-butyl acetate 13.27
    n-octanol 6.54
    chloroform 108.24
    n-propyl acetate 16.97
    acetic acid 618.88
    dichloromethane 115.31
    cyclohexanone 77.35
    propylene glycol 84.97
    isopropyl acetate 18.31
    DMAc 301.35
    2-ethoxyethanol 106.34
    isopentanol 16.84
    n-heptane 0.35
    ethyl formate 52.75
    1,2-dichloroethane 50.48
    n-hexanol 10.16
    2-methoxyethanol 233.14
    isobutyl acetate 7.83
    tetrachloromethane 11.8
    n-pentyl acetate 17.61
    transcutol 115.75
    n-heptanol 9.18
    ethylbenzene 2.66
    MIBK 13.17
    2-propoxyethanol 83.25
    tert-butanol 13.2
    MTBE 7.42
    2-butoxyethanol 52.69
    propionic acid 137.43
    o-xylene 5.84
    formic acid 476.57
    diethyl ether 13.98
    m-xylene 5.12
    p-xylene 2.88
    chlorobenzene 14.05
    dimethyl carbonate 53.72
    n-octane 0.17
    formamide 279.11
    cyclopentanone 122.68
    2-pentanone 35.26
    anisole 9.02
    cyclopentyl methyl ether 32.6
    gamma-butyrolactone 221.52
    1-methoxy-2-propanol 117.77
    pyridine 67.07
    3-pentanone 28.92
    furfural 158.23
    n-dodecane 0.12
    diethylene glycol 89.62
    diisopropyl ether 1.87
    tert-amyl alcohol 16.98
    acetylacetone 52.92
    n-hexadecane 0.13
    acetophenone 19.18
    methyl propionate 64.32
    isopentyl acetate 10.25
    trichloroethylene 149.19
    n-nonanol 6.53
    cyclohexanol 21.31
    benzyl alcohol 23.45
    2-ethylhexanol 4.19
    isooctanol 6.28
    dipropyl ether 5.87
    1,2-dichlorobenzene 13.64
    ethyl lactate 24.71
    propylene carbonate 86.13
    n-methylformamide 214.21
    2-pentanol 12.84
    n-pentane 0.56
    1-propoxy-2-propanol 39.14
    1-methoxy-2-propyl acetate 36.19
    2-(2-methoxypropoxy) propanol 31.89
    mesitylene 1.94
    ε-caprolactone 106.59
    p-cymene 1.93
    epichlorohydrin 178.59
    1,1,1-trichloroethane 24.58
    2-aminoethanol 117.91
    morpholine-4-carbaldehyde 252.82
    sulfolane 296.05
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 52.32
    n-hexyl acetate 17.26
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 44.66
    sec-butyl acetate 8.97
    tert-butyl acetate 13.02
    decalin 0.32
    glycerin 143.99
    diglyme 79.41
    acrylic acid 187.94
    isopropyl myristate 3.34
    n-butyric acid 122.05
    acetyl acetate 37.41
    di(2-ethylhexyl) phthalate 9.96
    ethyl propionate 17.28
    nitromethane 343.27
    1,2-diethoxyethane 15.45
    benzonitrile 13.11
    trioctyl phosphate 6.37
    1-bromopropane 18.1
    gamma-valerolactone 314.81
    n-decanol 3.66
    triethyl phosphate 8.74
    4-methyl-2-pentanol 4.9
    propionitrile 16.19
    vinylene carbonate 100.11
    1,1,2-trichlorotrifluoroethane 261.84
    DMS 23.12
    cumene 1.68
    2-octanol 4.05
    2-hexanone 14.89
    octyl acetate 7.08
    limonene 3.07
    1,2-dimethoxyethane 55.82
    ethyl orthosilicate 7.17
    tributyl phosphate 6.32
    diacetone alcohol 36.18
    N,N-dimethylaniline 7.19
    acrylonitrile 32.74
    aniline 25.8
    1,3-propanediol 117.22
    bromobenzene 11.65
    dibromomethane 53.6
    1,1,2,2-tetrachloroethane 89.07
    2-methyl-cyclohexyl acetate 10.85
    tetrabutyl urea 9.28
    diisobutyl methanol 1.75
    2-phenylethanol 15.85
    styrene 3.28
    dioctyl adipate 10.07
    dimethyl sulfate 108.53
    ethyl butyrate 12.48
    methyl lactate 88.75
    butyl lactate 25.7
    diethyl carbonate 8.46
    propanediol butyl ether 47.7
    triethyl orthoformate 10.68
    p-tert-butyltoluene 1.81
    methyl 4-tert-butylbenzoate 26.76
    morpholine 110.61
    tert-butylamine 3.77
    n-dodecanol 2.01
    dimethoxymethane 114.27
    ethylene carbonate 67.33
    cyrene 65.86
    2-ethoxyethyl acetate 42.77
    2-ethylhexyl acetate 7.59
    1,2,4-trichlorobenzene 23.36
    4-methylpyridine 42.98
    dibutyl ether 3.01
    2,6-dimethyl-4-heptanol 1.75
    DEF 72.99
    dimethyl isosorbide 50.35
    tetrachloroethylene 69.26
    eugenol 25.31
    triacetin 37.78
    span 80 33.57
    1,4-butanediol 40.59
    1,1-dichloroethane 31.16
    2-methyl-1-pentanol 12.42
    methyl formate 151.61
    2-methyl-1-butanol 24.31
    n-decane 0.26
    butyronitrile 13.03
    3,7-dimethyl-1-octanol 4.42
    1-chlorooctane 1.99
    1-chlorotetradecane 0.52
    n-nonane 0.23
    undecane 0.17
    tert-butylcyclohexane 0.23
    cyclooctane 0.25
    cyclopentanol 38.43
    tetrahydropyran 33.79
    tert-amyl methyl ether 9.46
    2,5,8-trioxanonane 46.0
    1-hexene 1.62
    2-isopropoxyethanol 42.39
    2,2,2-trifluoroethanol 196.46
    methyl butyrate 25.08

    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