beta-apo-8'-CAROTENAL

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  • Identifiers

    CAS number
    1107-26-2

    Molecular formula
    C30H40O

    SMILES
    CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=O)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 60.03%
    Sweet 51.41%
    Balsamic 47.67%
    Floral 41.76%
    Oily 38.87%
    Fruity 35.99%
    Tropical 33.44%
    Powdery 30.82%
    Sandalwood 29.1%
    Berry 28.55%

     

    Flavor
    Balsam 39.29%
    Balsamic 28.64%
    Oriental 26.67%
    Spicy 23.0%
    Diterpene 21.12%
    Low 20.91%
    Nitrile 20.03%
    Opoponax 20.0%
    Ocimene 19.87%
    Mouldy 19.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    9.4

    pKa est.
    7.62 (neutral)

    Molecular weight
    416.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    528°C

    Flash point

    • 239.89 ˚C est.

  • Synonyms

    • Apocarotenal
    • 1107-26-2
    • 8'-Apo-beta-carotenal
    • beta-apo-8'-carotenal
    • C.I. Food Orange 6
    • beta-apo-Carotenal
    • beta-Apocarotenal
    • C Orange 16
    • Food orange 6
    • 8'Apo-beta,psi-carotenal
    • all-trans-beta-Apo-8'-carotenal
    • (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-octaenal
    • 8'-Apo-beta,psi-carotenal
    • CI 40820
    • DTXSID20883251
    • V22N3E2U32
    • 2,4,6,8,10,12,14,16-Heptadecaoctaenal, 2,6,11,15-tetramethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E,8E,10E,12E,14E,16E)-
    • 2,4,6,8,10,12,14,16-Heptadecaoctaenal, 2,6,11,15-tetramethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-
    • 12676-20-9
    • RefChem:113474
    • DTXCID601022796
    • 214-171-6
    • 235-767-2
    • trans-beta-Apo-8'-carotenal
    • 8'-Apo-beta-caroten-8'-al
    • BETA-APO-8'-CAROTENAL (TRANS)
    • beta-Apo-8'-carotenal (C30)
    • all-trans-8'-apo-beta-carotenal
    • .beta.-apo-8'-Carotenal
    • 8'-apo-beta,psi-caroten-8'-al
    • (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-octaenal
    • 8'-Apoaldehyde
    • CCRIS 7933
    • E160E
    • E 160 e
    • 8'-Apo-beta-carotenal, all-trans-
    • EINECS 214-171-6
    • BRN 2064131
    • UNII-V22N3E2U32
    • C.I. 40820
    • C30H40O
    • -po-8'-arotenal
    • 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohex-1-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal
    • trans-|A-Apo-8 inverted exclamation marka-carotenal
    • MFCD00042626
    • 8'-APO-.BETA.,.PSI.-CAROTENAL
    • trans-?-Apo-8?-carotenal
    • APOCAROTENAL [MART.]
    • 4-07-00-01782 (Beilstein Handbook Reference)
    • APOCAROTENAL [USP-RS]
    • INS NO.160E
    • SCHEMBL341809
    • INS-160E
    • trans- beta -Apo-8'-carotenal
    • CHEBI:53154
    • HY-N6677R
    • 8'-apo-.beta.-Caroten-8'-al
    • MSK2435
    • 8'-APO-.BETA.-CAROTENAL
    • CAROTENAL, BETA-APO-8'-
    • trans-8'-Apo-?-Caroten-8'-al
    • HY-N6677
    • E-160E
    • NSC374897
    • |A-?Apo-?8'-?carotenal (Standard)
    • AKOS024386366
    • BETA-APO-8'-CAROTENAL [FCC]
    • EBC-157202
    • EBC-616243
    • NSC-374897
    • NCGC00187588-01
    • LS-15286
    • XA167402
    • CI(1975)NO.40820
    • CS-0099621
    • NS00044349
    • S5846
    • ST51037507
    • |_-Apo-8 inverted exclamation marka-carotenal
    • C19728
    • F82418
    • trans-beta-Apo-8'-carotenal, >=96.0% (UV)
    • Q274972
    • Z2583134452
    • Apocarotenal, United States Pharmacopeia (USP) Reference Standard
    • (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohe x-1-enyl)heptadeca-2,4,6,8,10,12,14,16-octaenal
    • 1107-26-2

  • Applications

    beta-apo-8'-CAROTENAL (CAS 1107-26-2) is an apocarotenoid aldehyde primarily used as an aroma and flavor ingredient, contributing to fragrance formulations in perfumery and to flavor notes in food applications, and it is also employed in cosmetics and personal care as a fragrance component. In industrial manufacturing it often serves as an intermediate for the synthesis of carotenoid/apocarotenoid derivatives or as a raw material in formulation development. It may also be used in household products for scent applications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.97
    methanol 2.05
    isopropanol 0.6
    water 0.0
    ethyl acetate 8.54
    n-propanol 2.51
    acetone 2.64
    n-butanol 3.23
    acetonitrile 0.87
    DMF 4.74
    toluene 15.33
    isobutanol 1.47
    1,4-dioxane 12.68
    methyl acetate 4.19
    THF 43.48
    2-butanone 8.0
    n-pentanol 4.69
    sec-butanol 2.14
    n-hexane 2.18
    ethylene glycol 0.04
    NMP 16.57
    cyclohexane 1.69
    DMSO 2.45
    n-butyl acetate 14.79
    n-octanol 2.43
    chloroform 56.24
    n-propyl acetate 11.62
    acetic acid 1.69
    dichloromethane 50.91
    cyclohexanone 18.2
    propylene glycol 0.17
    isopropyl acetate 7.8
    DMAc 20.47
    2-ethoxyethanol 6.9
    isopentanol 3.37
    n-heptane 1.78
    ethyl formate 2.81
    1,2-dichloroethane 19.12
    n-hexanol 4.72
    2-methoxyethanol 3.65
    isobutyl acetate 10.78
    tetrachloromethane 5.66
    n-pentyl acetate 13.21
    transcutol 46.27
    n-heptanol 3.89
    ethylbenzene 13.33
    MIBK 8.53
    2-propoxyethanol 10.46
    tert-butanol 1.11
    MTBE 8.43
    2-butoxyethanol 10.39
    propionic acid 1.49
    o-xylene 8.59
    formic acid 0.46
    diethyl ether 9.53
    m-xylene 10.73
    p-xylene 10.85
    chlorobenzene 16.66
    dimethyl carbonate 2.25
    n-octane 0.58
    formamide 0.77
    cyclopentanone 16.14
    2-pentanone 8.26
    anisole 27.93
    cyclopentyl methyl ether 17.73
    gamma-butyrolactone 13.68
    1-methoxy-2-propanol 3.91
    pyridine 19.42
    3-pentanone 8.58
    furfural 14.99
    n-dodecane 0.29
    diethylene glycol 1.7
    diisopropyl ether 3.51
    tert-amyl alcohol 3.64
    acetylacetone 8.32
    n-hexadecane 0.35
    acetophenone 18.88
    methyl propionate 5.98
    isopentyl acetate 18.93
    trichloroethylene 48.0
    n-nonanol 3.33
    cyclohexanol 3.26
    benzyl alcohol 7.76
    2-ethylhexanol 6.33
    isooctanol 4.38
    dipropyl ether 15.56
    1,2-dichlorobenzene 20.0
    ethyl lactate 3.42
    propylene carbonate 8.94
    n-methylformamide 1.54
    2-pentanol 1.95
    n-pentane 0.99
    1-propoxy-2-propanol 9.55
    1-methoxy-2-propyl acetate 20.28
    2-(2-methoxypropoxy) propanol 18.53
    mesitylene 6.1
    ε-caprolactone 21.03
    p-cymene 7.48
    epichlorohydrin 30.57
    1,1,1-trichloroethane 16.82
    2-aminoethanol 0.28
    morpholine-4-carbaldehyde 16.35
    sulfolane 15.5
    2,2,4-trimethylpentane 1.67
    2-methyltetrahydrofuran 25.58
    n-hexyl acetate 13.15
    isooctane 0.83
    2-(2-butoxyethoxy)ethanol 18.14
    sec-butyl acetate 13.74
    tert-butyl acetate 14.09
    decalin 2.5
    glycerin 0.31
    diglyme 45.24
    acrylic acid 1.06
    isopropyl myristate 6.55
    n-butyric acid 4.57
    acetyl acetate 5.26
    di(2-ethylhexyl) phthalate 7.31
    ethyl propionate 12.1
    nitromethane 3.28
    1,2-diethoxyethane 25.11
    benzonitrile 5.72
    trioctyl phosphate 3.45
    1-bromopropane 16.54
    gamma-valerolactone 27.25
    n-decanol 2.2
    triethyl phosphate 11.69
    4-methyl-2-pentanol 2.24
    propionitrile 1.89
    vinylene carbonate 8.16
    1,1,2-trichlorotrifluoroethane 10.99
    DMS 6.68
    cumene 9.1
    2-octanol 2.32
    2-hexanone 13.99
    octyl acetate 6.84
    limonene 9.49
    1,2-dimethoxyethane 21.64
    ethyl orthosilicate 15.12
    tributyl phosphate 4.61
    diacetone alcohol 7.95
    N,N-dimethylaniline 20.18
    acrylonitrile 1.74
    aniline 6.45
    1,3-propanediol 0.8
    bromobenzene 24.12
    dibromomethane 29.33
    1,1,2,2-tetrachloroethane 36.55
    2-methyl-cyclohexyl acetate 24.07
    tetrabutyl urea 7.13
    diisobutyl methanol 4.38
    2-phenylethanol 10.8
    styrene 12.93
    dioctyl adipate 13.17
    dimethyl sulfate 4.32
    ethyl butyrate 21.03
    methyl lactate 1.59
    butyl lactate 6.99
    diethyl carbonate 10.23
    propanediol butyl ether 4.27
    triethyl orthoformate 21.45
    p-tert-butyltoluene 7.12
    methyl 4-tert-butylbenzoate 22.54
    morpholine 15.69
    tert-butylamine 0.99
    n-dodecanol 1.48
    dimethoxymethane 7.77
    ethylene carbonate 5.84
    cyrene 16.94
    2-ethoxyethyl acetate 19.81
    2-ethylhexyl acetate 19.82
    1,2,4-trichlorobenzene 23.0
    4-methylpyridine 19.96
    dibutyl ether 9.11
    2,6-dimethyl-4-heptanol 4.38
    DEF 11.81
    dimethyl isosorbide 47.39
    tetrachloroethylene 19.37
    eugenol 17.25
    triacetin 15.67
    span 80 12.52
    1,4-butanediol 0.47
    1,1-dichloroethane 11.68
    2-methyl-1-pentanol 7.89
    methyl formate 1.27
    2-methyl-1-butanol 4.11
    n-decane 0.73
    butyronitrile 3.35
    3,7-dimethyl-1-octanol 4.19
    1-chlorooctane 3.96
    1-chlorotetradecane 1.22
    n-nonane 0.62
    undecane 0.43
    tert-butylcyclohexane 2.76
    cyclooctane 0.94
    cyclopentanol 2.05
    tetrahydropyran 19.52
    tert-amyl methyl ether 13.33
    2,5,8-trioxanonane 30.09
    1-hexene 8.06
    2-isopropoxyethanol 6.58
    2,2,2-trifluoroethanol 0.61
    methyl butyrate 14.38

    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