1',2',7,7',8,8'-Hexahydro-1',2'-epoxy-psi,psi-carotene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93861-35-9

    Molecular formula
    C40H60O

    SMILES
    CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC1C(O1)(C)C)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 54.69%
    Balsamic 54.1%
    Woody 50.43%
    Oily 37.89%
    Sweet 36.96%
    Green 32.05%
    Waxy 31.89%
    Fruity 28.0%
    Tropical 27.92%
    Fresh 26.63%

     

    Flavor
    Balsam 51.59%
    Balsamic 36.94%
    Wood 35.21%
    Citrus 34.67%
    Sweet 32.06%
    Herbal 29.44%
    Oriental 27.41%
    Spicy 26.68%
    Woody 26.29%
    Herb 24.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.2

    pKa est.
    -848.79 (strong acid)

    Molecular weight
    556.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    559°C

    Flash point

    • -4011.77 ˚C est.

  • Synonyms

    • DTXSID001206784
    • 1',2',7,7',8,8'-Hexahydro-1',2'-epoxy-psi,psi-carotene
    • I,I-Carotene, 1,2-epoxy-1,2,7,7a(2),8,8a(2)-hexahydro-, (2S)-
    • 93861-35-9
    • 93861-35-9

  • Applications

    1',2',7,7',8,8'-Hexahydro-1',2'-epoxy-psi,psi-carotene (CAS 93861-35-9) is primarily used as a carotenoid synthesis intermediate and pigment precursor for carotenoid pigments used in colorant applications; in cosmetics and personal care, it can serve as a colorant or building block for stable color systems; in coatings and inks, it is evaluated as a pigment precursor to impart color and color fastness; in polymers and plastics, it shows potential as an optical stabilizer/antioxidant additive to enhance formulation stability; and in chemical and pharmaceutical research, it is often used as a scaffold or intermediate in more complex carotenoid syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.42
    methanol 0.27
    isopropanol 0.17
    water 0.0
    ethyl acetate 2.91
    n-propanol 0.55
    acetone 0.52
    n-butanol 0.79
    acetonitrile 0.21
    DMF 0.41
    toluene 3.89
    isobutanol 0.39
    1,4-dioxane 3.38
    methyl acetate 1.15
    THF 9.03
    2-butanone 2.17
    n-pentanol 1.22
    sec-butanol 0.62
    n-hexane 0.95
    ethylene glycol 0.01
    NMP 2.97
    cyclohexane 1.02
    DMSO 0.65
    n-butyl acetate 6.19
    n-octanol 1.0
    chloroform 19.3
    n-propyl acetate 4.04
    acetic acid 0.59
    dichloromethane 14.43
    cyclohexanone 4.99
    propylene glycol 0.04
    isopropyl acetate 3.17
    DMAc 3.48
    2-ethoxyethanol 1.86
    isopentanol 0.96
    n-heptane 1.14
    ethyl formate 0.75
    1,2-dichloroethane 4.81
    n-hexanol 1.38
    2-methoxyethanol 0.83
    isobutyl acetate 3.89
    tetrachloromethane 1.84
    n-pentyl acetate 5.39
    transcutol 16.53
    n-heptanol 1.15
    ethylbenzene 4.76
    MIBK 2.73
    2-propoxyethanol 3.0
    tert-butanol 0.3
    MTBE 2.87
    2-butoxyethanol 3.33
    propionic acid 0.49
    o-xylene 2.64
    formic acid 0.12
    diethyl ether 2.72
    m-xylene 2.81
    p-xylene 3.74
    chlorobenzene 4.17
    dimethyl carbonate 0.43
    n-octane 0.35
    formamide 0.16
    cyclopentanone 3.1
    2-pentanone 2.41
    anisole 8.04
    cyclopentyl methyl ether 5.11
    gamma-butyrolactone 2.99
    1-methoxy-2-propanol 0.9
    pyridine 4.79
    3-pentanone 2.54
    furfural 3.45
    n-dodecane 0.22
    diethylene glycol 0.46
    diisopropyl ether 1.43
    tert-amyl alcohol 1.13
    acetylacetone 2.18
    n-hexadecane 0.26
    acetophenone 6.08
    methyl propionate 1.67
    isopentyl acetate 8.7
    trichloroethylene 12.15
    n-nonanol 1.52
    cyclohexanol 1.04
    benzyl alcohol 1.83
    2-ethylhexanol 2.59
    isooctanol 1.47
    dipropyl ether 7.21
    1,2-dichlorobenzene 5.75
    ethyl lactate 1.13
    propylene carbonate 2.48
    n-methylformamide 0.22
    2-pentanol 0.62
    n-pentane 0.4
    1-propoxy-2-propanol 3.14
    1-methoxy-2-propyl acetate 7.85
    2-(2-methoxypropoxy) propanol 8.35
    mesitylene 1.72
    ε-caprolactone 7.4
    p-cymene 3.49
    epichlorohydrin 8.1
    1,1,1-trichloroethane 5.77
    2-aminoethanol 0.08
    morpholine-4-carbaldehyde 3.62
    sulfolane 3.96
    2,2,4-trimethylpentane 0.78
    2-methyltetrahydrofuran 8.41
    n-hexyl acetate 6.16
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 7.54
    sec-butyl acetate 6.36
    tert-butyl acetate 5.49
    decalin 1.46
    glycerin 0.08
    diglyme 16.0
    acrylic acid 0.3
    isopropyl myristate 3.84
    n-butyric acid 1.59
    acetyl acetate 1.89
    di(2-ethylhexyl) phthalate 3.18
    ethyl propionate 5.02
    nitromethane 0.79
    1,2-diethoxyethane 10.31
    benzonitrile 1.34
    trioctyl phosphate 1.36
    1-bromopropane 5.92
    gamma-valerolactone 7.46
    n-decanol 0.98
    triethyl phosphate 6.27
    4-methyl-2-pentanol 0.74
    propionitrile 0.44
    vinylene carbonate 2.02
    1,1,2-trichlorotrifluoroethane 4.05
    DMS 2.16
    cumene 3.64
    2-octanol 0.81
    2-hexanone 4.7
    octyl acetate 3.51
    limonene 4.72
    1,2-dimethoxyethane 5.39
    ethyl orthosilicate 8.31
    tributyl phosphate 2.06
    diacetone alcohol 2.4
    N,N-dimethylaniline 5.87
    acrylonitrile 0.34
    aniline 1.53
    1,3-propanediol 0.21
    bromobenzene 6.98
    dibromomethane 9.89
    1,1,2,2-tetrachloroethane 10.69
    2-methyl-cyclohexyl acetate 13.09
    tetrabutyl urea 3.11
    diisobutyl methanol 1.68
    2-phenylethanol 2.95
    styrene 3.88
    dioctyl adipate 6.99
    dimethyl sulfate 0.84
    ethyl butyrate 10.62
    methyl lactate 0.43
    butyl lactate 2.41
    diethyl carbonate 5.26
    propanediol butyl ether 1.39
    triethyl orthoformate 12.34
    p-tert-butyltoluene 3.07
    methyl 4-tert-butylbenzoate 7.69
    morpholine 4.08
    tert-butylamine 0.28
    n-dodecanol 0.68
    dimethoxymethane 1.08
    ethylene carbonate 1.66
    cyrene 5.51
    2-ethoxyethyl acetate 7.71
    2-ethylhexyl acetate 10.24
    1,2,4-trichlorobenzene 6.83
    4-methylpyridine 4.38
    dibutyl ether 5.95
    2,6-dimethyl-4-heptanol 1.68
    DEF 2.75
    dimethyl isosorbide 16.88
    tetrachloroethylene 5.34
    eugenol 4.4
    triacetin 7.1
    span 80 5.59
    1,4-butanediol 0.12
    1,1-dichloroethane 3.26
    2-methyl-1-pentanol 2.38
    methyl formate 0.17
    2-methyl-1-butanol 1.13
    n-decane 0.54
    butyronitrile 0.78
    3,7-dimethyl-1-octanol 1.9
    1-chlorooctane 2.22
    1-chlorotetradecane 0.76
    n-nonane 0.44
    undecane 0.32
    tert-butylcyclohexane 1.37
    cyclooctane 0.64
    cyclopentanol 0.61
    tetrahydropyran 6.19
    tert-amyl methyl ether 5.16
    2,5,8-trioxanonane 11.94
    1-hexene 2.58
    2-isopropoxyethanol 1.99
    2,2,2-trifluoroethanol 0.18
    methyl butyrate 4.93

    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