Ethyl beta-apo-8'-carotenoate

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  • Identifiers

    CAS number
    1109-11-1

    Molecular formula
    C32H44O2

    SMILES
    CCOC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 62.0%
    Sweet 53.79%
    Balsamic 48.8%
    Floral 45.79%
    Fruity 43.73%
    Oily 38.25%
    Tropical 36.83%
    Berry 33.5%
    Powdery 33.21%
    Waxy 28.77%

     

    Flavor
    Balsam 34.13%
    Oriental 25.35%
    Balsamic 24.97%
    Diterpene 20.73%
    Low 20.59%
    Spicy 20.24%
    Opoponax 19.68%
    Nitrile 19.5%
    Mouldy 19.46%
    Ocimene 19.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.1

    pKa est.
    6.79 (neutral)

    Molecular weight
    460.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    498°C

    Flash point

    • 240.22 ˚C est.

  • Synonyms

    • 1109-11-1
    • 8'-Apo-beta, psi-carotenoid acid, ethyl ester
    • DTXSID901015586
    • RefChem:596131
    • Ethyl beta-apo-8'-carotenoate
    • DTXCID901473837
    • 214-173-7
    • Food orange 7
    • Ethyl 8'-apo-beta-caroten-8'-oate
    • ethyl (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
    • Ethyl 8'-apo-caroten-8'-oate
    • ETHYL BETA-APO-8/'-CAROTENOATE (TRANS)
    • ethyl (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohex-1-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
    • (2E,4E,6E,8E,10E,12E,14E,16E)-Ethyl 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohex-1-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
    • beta-Apo-8'-carotenoic acid, ethyl ester
    • ETHYL BETA-APO-8'-CAROTENOATE (TRANS)
    • EINECS 214-173-7
    • CI 40825
    • Ethyl 8'-apo-beta, psi-carotenoate
    • C32H44O2
    • starbld0001505
    • orb2566297
    • SCHEMBL10429279
    • GIRXTOSJOKKBHO-BQTUIHPCSA-N
    • Ethyl 8'-apo-b-caroten-8'-oate
    • HY-D0313
    • FE57773
    • CS-0010253
    • NS00013497
    • Q423869
    • Ethyl |_-apo-8 inverted exclamation marka-carotenoate
    • Ethyl |A-Apo-8 inverted exclamation marka-Carotenoate
    • 1109-11-1

  • Applications

    Ethyl beta-apo-8'-carotenoate is used primarily as a colorant-related intermediate and pigment in specialty applications. In cosmetics and personal care, it can serve as a carotenoid pigment or pigment precursor for color cosmetics and skin-care products. In coatings and inks, it functions as a colorant additive to impart orange-red hues. In polymers and plastics, it is used as a colorant or pigment additive to enhance coloration in engineered materials. In perfumery and fragrance, it is evaluated as an apocarotenoid aroma precursor or fixed component. In industrial manufacturing, it serves as an intermediate in carotenoid synthesis and related chemical transformations. Its use is subject to local regulations and formulation limits. (1109-11-1).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.53
    methanol 2.48
    isopropanol 0.92
    water 0.0
    ethyl acetate 11.15
    n-propanol 3.88
    acetone 4.46
    n-butanol 4.59
    acetonitrile 1.19
    DMF 8.82
    toluene 17.03
    isobutanol 2.42
    1,4-dioxane 16.54
    methyl acetate 6.1
    THF 57.52
    2-butanone 13.01
    n-pentanol 7.36
    sec-butanol 3.8
    n-hexane 3.91
    ethylene glycol 0.05
    NMP 35.56
    cyclohexane 2.67
    DMSO 4.96
    n-butyl acetate 16.75
    n-octanol 4.43
    chloroform 88.05
    n-propyl acetate 14.54
    acetic acid 2.92
    dichloromethane 79.77
    cyclohexanone 30.39
    propylene glycol 0.23
    isopropyl acetate 9.31
    DMAc 38.84
    2-ethoxyethanol 9.75
    isopentanol 4.9
    n-heptane 2.36
    ethyl formate 4.0
    1,2-dichloroethane 29.0
    n-hexanol 7.09
    2-methoxyethanol 4.68
    isobutyl acetate 12.55
    tetrachloromethane 8.98
    n-pentyl acetate 20.01
    transcutol 47.7
    n-heptanol 6.6
    ethylbenzene 16.33
    MIBK 10.73
    2-propoxyethanol 14.6
    tert-butanol 1.79
    MTBE 13.11
    2-butoxyethanol 16.17
    propionic acid 2.68
    o-xylene 10.53
    formic acid 0.68
    diethyl ether 13.57
    m-xylene 11.08
    p-xylene 13.95
    chlorobenzene 22.6
    dimethyl carbonate 3.31
    n-octane 0.83
    formamide 1.13
    cyclopentanone 26.41
    2-pentanone 11.99
    anisole 31.22
    cyclopentyl methyl ether 24.24
    gamma-butyrolactone 21.55
    1-methoxy-2-propanol 5.24
    pyridine 26.61
    3-pentanone 13.44
    furfural 21.11
    n-dodecane 0.44
    diethylene glycol 2.21
    diisopropyl ether 4.46
    tert-amyl alcohol 6.53
    acetylacetone 11.16
    n-hexadecane 0.52
    acetophenone 24.99
    methyl propionate 8.9
    isopentyl acetate 21.13
    trichloroethylene 71.89
    n-nonanol 5.9
    cyclohexanol 5.16
    benzyl alcohol 10.66
    2-ethylhexanol 8.54
    isooctanol 7.28
    dipropyl ether 17.62
    1,2-dichlorobenzene 27.04
    ethyl lactate 4.53
    propylene carbonate 11.98
    n-methylformamide 2.48
    2-pentanol 2.99
    n-pentane 1.62
    1-propoxy-2-propanol 12.09
    1-methoxy-2-propyl acetate 21.36
    2-(2-methoxypropoxy) propanol 23.48
    mesitylene 6.6
    ε-caprolactone 33.38
    p-cymene 7.98
    epichlorohydrin 44.27
    1,1,1-trichloroethane 26.11
    2-aminoethanol 0.41
    morpholine-4-carbaldehyde 24.39
    sulfolane 28.93
    2,2,4-trimethylpentane 2.44
    2-methyltetrahydrofuran 38.43
    n-hexyl acetate 20.33
    isooctane 0.99
    2-(2-butoxyethoxy)ethanol 22.37
    sec-butyl acetate 16.55
    tert-butyl acetate 16.95
    decalin 3.51
    glycerin 0.44
    diglyme 54.48
    acrylic acid 1.88
    isopropyl myristate 8.52
    n-butyric acid 6.86
    acetyl acetate 6.71
    di(2-ethylhexyl) phthalate 10.47
    ethyl propionate 15.78
    nitromethane 5.31
    1,2-diethoxyethane 27.68
    benzonitrile 7.29
    trioctyl phosphate 5.29
    1-bromopropane 27.67
    gamma-valerolactone 39.68
    n-decanol 3.72
    triethyl phosphate 12.95
    4-methyl-2-pentanol 3.15
    propionitrile 2.83
    vinylene carbonate 10.88
    1,1,2-trichlorotrifluoroethane 17.77
    DMS 9.02
    cumene 11.12
    2-octanol 4.08
    2-hexanone 19.92
    octyl acetate 10.45
    limonene 11.26
    1,2-dimethoxyethane 27.99
    ethyl orthosilicate 17.19
    tributyl phosphate 6.5
    diacetone alcohol 10.17
    N,N-dimethylaniline 24.28
    acrylonitrile 2.53
    aniline 8.31
    1,3-propanediol 1.07
    bromobenzene 33.03
    dibromomethane 47.3
    1,1,2,2-tetrachloroethane 57.17
    2-methyl-cyclohexyl acetate 27.02
    tetrabutyl urea 10.8
    diisobutyl methanol 5.14
    2-phenylethanol 13.39
    styrene 15.92
    dioctyl adipate 17.15
    dimethyl sulfate 6.89
    ethyl butyrate 21.89
    methyl lactate 2.3
    butyl lactate 10.55
    diethyl carbonate 11.43
    propanediol butyl ether 6.29
    triethyl orthoformate 22.82
    p-tert-butyltoluene 7.5
    methyl 4-tert-butylbenzoate 30.59
    morpholine 22.04
    tert-butylamine 1.61
    n-dodecanol 2.4
    dimethoxymethane 10.8
    ethylene carbonate 8.13
    cyrene 24.46
    2-ethoxyethyl acetate 27.39
    2-ethylhexyl acetate 22.57
    1,2,4-trichlorobenzene 33.02
    4-methylpyridine 25.24
    dibutyl ether 12.23
    2,6-dimethyl-4-heptanol 5.14
    DEF 17.86
    dimethyl isosorbide 54.71
    tetrachloroethylene 30.83
    eugenol 23.96
    triacetin 21.91
    span 80 17.74
    1,4-butanediol 0.71
    1,1-dichloroethane 18.26
    2-methyl-1-pentanol 12.42
    methyl formate 1.89
    2-methyl-1-butanol 6.57
    n-decane 1.11
    butyronitrile 4.36
    3,7-dimethyl-1-octanol 5.8
    1-chlorooctane 6.1
    1-chlorotetradecane 1.83
    n-nonane 0.93
    undecane 0.65
    tert-butylcyclohexane 3.45
    cyclooctane 1.36
    cyclopentanol 3.52
    tetrahydropyran 27.51
    tert-amyl methyl ether 20.15
    2,5,8-trioxanonane 35.36
    1-hexene 12.83
    2-isopropoxyethanol 9.4
    2,2,2-trifluoroethanol 1.07
    methyl butyrate 18.96

    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