Subspinosin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    80565-16-8

    Molecular formula
    C18H16O5

    SMILES
    CCOCC1=CC2=C(C(=C1O)OC)C(=O)C3=CC=CC=C3C2=O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 58.68%
    Vanilla 53.07%
    Floral 40.8%
    Powdery 39.71%
    Phenolic 36.92%
    Balsamic 35.86%
    Spicy 35.22%
    Creamy 33.58%
    Odorless 28.05%
    Fruity 26.65%

     

    Flavor
    Bitter 87.83%
    Bland 21.82%
    Odorless 21.05%
    Parsley 20.33%
    Lovage 20.19%
    Sweet-like 19.62%
    Cedarleaf 19.24%
    Ethyl benzoate 18.61%
    Nitrile 18.51%
    Ripe apricot 18.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.01 (neutral)

    Molecular weight
    312.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    584°C

    Flash point

    • 226.54 ˚C est.

  • Synonyms

    • Subspinosin
    • 3-Ethoxymethyl-2-hydroxy-1-methoxyanthraquinone
    • Damnacanthol-omega-ethyl ether
    • 80565-16-8
    • DTXSID90230399
    • 2-Ethoxymethyl-3-hydroxy-1-methoxyanthraquinone
    • 9,10-Anthracenedione, 3-(ethoxymethyl)-2-hydroxy-1-methoxy-
    • RefChem:186255
    • DTXCID40152890
    • 3-(ethoxymethyl)-2-hydroxy-1-methoxyanthracene-9,10-dione
    • 2-ethoxymethyl-3-hydroxy-4-methoxyanthraquinone
    • AN-668/21194005
    • 80565-16-8

  • Applications

    Subspinosin (CAS 80565-16-8) is regarded as an intermediate in organic synthesis and a subject of study for applications in pharmaceuticals, agrochemicals, and natural-product chemistry. It may serve as a scaffold or a precursor in drug development and in natural product/biological research; it also functions as an analytical standard to support analytical methods and quality control. Additionally, Subspinosin may be evaluated for cosmetic and personal-care applications based on natural product provenance; it is studied as a reference material for natural product chemistry and could provide a platform for materials development, such as polymers or coatings upon chemical modification.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.45
    methanol 1.6
    isopropanol 1.3
    water 0.03
    ethyl acetate 16.16
    n-propanol 1.66
    acetone 15.98
    n-butanol 1.71
    acetonitrile 9.23
    DMF 50.29
    toluene 7.66
    isobutanol 1.57
    1,4-dioxane 14.33
    methyl acetate 19.43
    THF 28.47
    2-butanone 15.23
    n-pentanol 1.76
    sec-butanol 1.33
    n-hexane 0.15
    ethylene glycol 2.21
    NMP 83.64
    cyclohexane 0.48
    DMSO 34.99
    n-butyl acetate 13.74
    n-octanol 2.02
    chloroform 45.55
    n-propyl acetate 13.46
    acetic acid 21.68
    dichloromethane 52.58
    cyclohexanone 34.25
    propylene glycol 1.14
    isopropyl acetate 15.0
    DMAc 89.29
    2-ethoxyethanol 8.48
    isopentanol 2.96
    n-heptane 0.2
    ethyl formate 8.84
    1,2-dichloroethane 39.67
    n-hexanol 3.19
    2-methoxyethanol 12.93
    isobutyl acetate 9.93
    tetrachloromethane 5.63
    n-pentyl acetate 9.78
    transcutol 24.89
    n-heptanol 3.16
    ethylbenzene 5.65
    MIBK 11.21
    2-propoxyethanol 16.36
    tert-butanol 3.47
    MTBE 3.89
    2-butoxyethanol 11.78
    propionic acid 9.6
    o-xylene 7.34
    formic acid 9.73
    diethyl ether 3.81
    m-xylene 6.03
    p-xylene 7.6
    chlorobenzene 13.67
    dimethyl carbonate 31.17
    n-octane 0.16
    formamide 20.81
    cyclopentanone 46.5
    2-pentanone 12.22
    anisole 12.79
    cyclopentyl methyl ether 12.03
    gamma-butyrolactone 60.63
    1-methoxy-2-propanol 9.65
    pyridine 28.13
    3-pentanone 14.51
    furfural 56.16
    n-dodecane 0.23
    diethylene glycol 18.31
    diisopropyl ether 2.18
    tert-amyl alcohol 3.17
    acetylacetone 32.2
    n-hexadecane 0.28
    acetophenone 23.66
    methyl propionate 20.12
    isopentyl acetate 15.96
    trichloroethylene 94.38
    n-nonanol 2.66
    cyclohexanol 4.57
    benzyl alcohol 12.36
    2-ethylhexanol 4.09
    isooctanol 3.42
    dipropyl ether 4.57
    1,2-dichlorobenzene 19.41
    ethyl lactate 11.4
    propylene carbonate 31.73
    n-methylformamide 15.34
    2-pentanol 1.46
    n-pentane 0.12
    1-propoxy-2-propanol 10.38
    1-methoxy-2-propyl acetate 26.58
    2-(2-methoxypropoxy) propanol 16.04
    mesitylene 4.09
    ε-caprolactone 31.82
    p-cymene 5.38
    epichlorohydrin 56.14
    1,1,1-trichloroethane 27.28
    2-aminoethanol 2.28
    morpholine-4-carbaldehyde 59.95
    sulfolane 81.17
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 12.92
    n-hexyl acetate 9.58
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 14.43
    sec-butyl acetate 11.85
    tert-butyl acetate 18.53
    decalin 0.74
    glycerin 6.38
    diglyme 35.59
    acrylic acid 16.1
    isopropyl myristate 5.55
    n-butyric acid 11.2
    acetyl acetate 25.08
    di(2-ethylhexyl) phthalate 8.46
    ethyl propionate 15.22
    nitromethane 59.29
    1,2-diethoxyethane 10.33
    benzonitrile 16.28
    trioctyl phosphate 5.77
    1-bromopropane 7.66
    gamma-valerolactone 56.52
    n-decanol 2.11
    triethyl phosphate 13.58
    4-methyl-2-pentanol 2.22
    propionitrile 8.54
    vinylene carbonate 34.54
    1,1,2-trichlorotrifluoroethane 57.72
    DMS 26.9
    cumene 4.54
    2-octanol 1.97
    2-hexanone 10.82
    octyl acetate 6.39
    limonene 5.98
    1,2-dimethoxyethane 22.42
    ethyl orthosilicate 11.47
    tributyl phosphate 7.39
    diacetone alcohol 19.71
    N,N-dimethylaniline 11.66
    acrylonitrile 19.0
    aniline 11.95
    1,3-propanediol 4.2
    bromobenzene 14.54
    dibromomethane 24.7
    1,1,2,2-tetrachloroethane 54.02
    2-methyl-cyclohexyl acetate 15.64
    tetrabutyl urea 11.18
    diisobutyl methanol 3.67
    2-phenylethanol 15.18
    styrene 6.7
    dioctyl adipate 10.52
    dimethyl sulfate 60.14
    ethyl butyrate 13.52
    methyl lactate 16.95
    butyl lactate 9.14
    diethyl carbonate 12.9
    propanediol butyl ether 6.41
    triethyl orthoformate 12.01
    p-tert-butyltoluene 4.72
    methyl 4-tert-butylbenzoate 21.12
    morpholine 15.49
    tert-butylamine 1.82
    n-dodecanol 1.74
    dimethoxymethane 25.73
    ethylene carbonate 25.66
    cyrene 27.78
    2-ethoxyethyl acetate 17.84
    2-ethylhexyl acetate 13.35
    1,2,4-trichlorobenzene 27.36
    4-methylpyridine 23.69
    dibutyl ether 3.53
    2,6-dimethyl-4-heptanol 3.67
    DEF 26.14
    dimethyl isosorbide 38.2
    tetrachloroethylene 41.07
    eugenol 20.07
    triacetin 19.19
    span 80 9.97
    1,4-butanediol 1.96
    1,1-dichloroethane 18.05
    2-methyl-1-pentanol 3.33
    methyl formate 17.74
    2-methyl-1-butanol 2.4
    n-decane 0.32
    butyronitrile 5.35
    3,7-dimethyl-1-octanol 3.19
    1-chlorooctane 2.0
    1-chlorotetradecane 1.16
    n-nonane 0.22
    undecane 0.27
    tert-butylcyclohexane 0.52
    cyclooctane 0.2
    cyclopentanol 4.7
    tetrahydropyran 9.1
    tert-amyl methyl ether 5.19
    2,5,8-trioxanonane 28.11
    1-hexene 0.93
    2-isopropoxyethanol 8.01
    2,2,2-trifluoroethanol 18.31
    methyl butyrate 17.03

    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