Neurosporene

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  • Identifiers

    CAS number
    502-64-7

    Molecular formula
    C40H58

    SMILES
    CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 57.22%
    Woody 51.9%
    Floral 51.17%
    Sweet 39.21%
    Oily 38.11%
    Green 32.85%
    Tropical 29.87%
    Herbal 29.76%
    Waxy 28.66%
    Fresh 26.34%

     

    Flavor
    Balsam 54.66%
    Balsamic 37.26%
    Citrus 32.33%
    Sweet 30.74%
    Wood 28.79%
    Oriental 28.59%
    Spicy 25.33%
    Herbal 24.81%
    Diterpene 23.47%
    Low 22.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.5

    pKa est.
    10.67 (weak base)

    Molecular weight
    538.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    547°C

    Flash point

    • 280.35 ˚C est.

  • Synonyms

    • Neurosporene
    • 502-64-7
    • 7,8-dihydro-psi,psi-carotene
    • all-trans-Neurosporene
    • (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene
    • FVN22YW634
    • CHEBI:16833
    • DTXSID901045315
    • RefChem:165584
    • DTXCID60909106
    • psi,psi-Carotene, 7,8-dihydro-
    • 7,9,9'-cis-neurosporene
    • Neurosporin
    • C40H58
    • all-trans neurosporene
    • 7,8-Dihydro-y,y-carotene
    • UNII-FVN22YW634
    • SCHEMBL323577
    • LMPR01070086
    • Lycopene, 7,8-dihydro-, all-trans-
    • FN57821
    • 52438-19-4
    • DB-266322
    • C05431
    • Q15269719
    • 2,6,8,10,12,14,16,18,20,22,26,30-Dotriacontadodecaene, 2,6,10,14,19,23,27,31-octamethyl-
    • 502-64-7

  • Applications

    Neurosporene (CAS 502-64-7), a carotenoid hydrocarbon, is primarily regarded as a natural pigment and an intermediate in microbial carotenoid biosynthesis with potential industrial applications. In cosmetics and personal care, it can function as a natural colorant in color cosmetic formulations. In coatings and inks, it serves as a pigment for durable coloration of paints and printed materials. In polymers and plastics, it can be added as a pigment additive to impart color and influence optical properties. In industrial biotechnology, it is investigated as an intermediate in microbial production pathways for carotenoids. There is also research interest in its potential for electronic or photonic applications as a dye or pigment in organic electronics. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.1
    methanol 0.08
    isopropanol 0.05
    water 0.0
    ethyl acetate 1.89
    n-propanol 0.18
    acetone 0.37
    n-butanol 0.26
    acetonitrile 0.09
    DMF 0.57
    toluene 5.15
    isobutanol 0.13
    1,4-dioxane 2.4
    methyl acetate 0.73
    THF 10.02
    2-butanone 1.48
    n-pentanol 0.42
    sec-butanol 0.21
    n-hexane 1.4
    ethylene glycol 0.0
    NMP 4.34
    cyclohexane 1.69
    DMSO 0.45
    n-butyl acetate 4.04
    n-octanol 0.4
    chloroform 11.16
    n-propyl acetate 2.67
    acetic acid 0.19
    dichloromethane 8.89
    cyclohexanone 4.36
    propylene glycol 0.01
    isopropyl acetate 1.94
    DMAc 3.63
    2-ethoxyethanol 0.65
    isopentanol 0.29
    n-heptane 1.83
    ethyl formate 0.45
    1,2-dichloroethane 3.48
    n-hexanol 0.49
    2-methoxyethanol 0.29
    isobutyl acetate 2.59
    tetrachloromethane 1.64
    n-pentyl acetate 3.28
    transcutol 5.83
    n-heptanol 0.47
    ethylbenzene 4.97
    MIBK 1.67
    2-propoxyethanol 1.08
    tert-butanol 0.1
    MTBE 1.91
    2-butoxyethanol 1.21
    propionic acid 0.21
    o-xylene 3.35
    formic acid 0.04
    diethyl ether 1.82
    m-xylene 3.59
    p-xylene 4.26
    chlorobenzene 4.21
    dimethyl carbonate 0.46
    n-octane 0.47
    formamide 0.06
    cyclopentanone 4.0
    2-pentanone 1.67
    anisole 6.41
    cyclopentyl methyl ether 7.13
    gamma-butyrolactone 3.44
    1-methoxy-2-propanol 0.38
    pyridine 4.0
    3-pentanone 2.5
    furfural 2.81
    n-dodecane 0.2
    diethylene glycol 0.13
    diisopropyl ether 1.15
    tert-amyl alcohol 0.46
    acetylacetone 1.79
    n-hexadecane 0.25
    acetophenone 4.78
    methyl propionate 1.41
    isopentyl acetate 5.2
    trichloroethylene 9.58
    n-nonanol 0.65
    cyclohexanol 0.58
    benzyl alcohol 0.92
    2-ethylhexanol 1.31
    isooctanol 0.66
    dipropyl ether 7.47
    1,2-dichlorobenzene 5.57
    ethyl lactate 0.58
    propylene carbonate 2.32
    n-methylformamide 0.15
    2-pentanol 0.23
    n-pentane 0.46
    1-propoxy-2-propanol 1.5
    1-methoxy-2-propyl acetate 4.76
    2-(2-methoxypropoxy) propanol 3.62
    mesitylene 2.37
    ε-caprolactone 5.87
    p-cymene 3.7
    epichlorohydrin 5.99
    1,1,1-trichloroethane 4.8
    2-aminoethanol 0.02
    morpholine-4-carbaldehyde 2.93
    sulfolane 4.43
    2,2,4-trimethylpentane 0.98
    2-methyltetrahydrofuran 7.85
    n-hexyl acetate 3.09
    isooctane 0.39
    2-(2-butoxyethoxy)ethanol 2.59
    sec-butyl acetate 4.2
    tert-butyl acetate 4.29
    decalin 2.19
    glycerin 0.03
    diglyme 8.14
    acrylic acid 0.14
    isopropyl myristate 2.36
    n-butyric acid 0.74
    acetyl acetate 1.3
    di(2-ethylhexyl) phthalate 1.72
    ethyl propionate 3.83
    nitromethane 0.39
    1,2-diethoxyethane 6.57
    benzonitrile 0.85
    trioctyl phosphate 0.78
    1-bromopropane 4.41
    gamma-valerolactone 5.65
    n-decanol 0.42
    triethyl phosphate 5.68
    4-methyl-2-pentanol 0.28
    propionitrile 0.24
    vinylene carbonate 1.75
    1,1,2-trichlorotrifluoroethane 2.09
    DMS 1.64
    cumene 3.4
    2-octanol 0.39
    2-hexanone 3.26
    octyl acetate 1.92
    limonene 5.55
    1,2-dimethoxyethane 3.44
    ethyl orthosilicate 7.78
    tributyl phosphate 1.25
    diacetone alcohol 1.3
    N,N-dimethylaniline 6.38
    acrylonitrile 0.2
    aniline 1.13
    1,3-propanediol 0.06
    bromobenzene 7.88
    dibromomethane 6.13
    1,1,2,2-tetrachloroethane 8.21
    2-methyl-cyclohexyl acetate 9.43
    tetrabutyl urea 2.17
    diisobutyl methanol 1.17
    2-phenylethanol 1.27
    styrene 4.2
    dioctyl adipate 4.35
    dimethyl sulfate 1.05
    ethyl butyrate 8.49
    methyl lactate 0.25
    butyl lactate 1.29
    diethyl carbonate 3.72
    propanediol butyl ether 0.49
    triethyl orthoformate 10.93
    p-tert-butyltoluene 3.42
    methyl 4-tert-butylbenzoate 6.64
    morpholine 2.55
    tert-butylamine 0.12
    n-dodecanol 0.3
    dimethoxymethane 1.11
    ethylene carbonate 1.37
    cyrene 3.47
    2-ethoxyethyl acetate 4.07
    2-ethylhexyl acetate 7.25
    1,2,4-trichlorobenzene 6.41
    4-methylpyridine 3.92
    dibutyl ether 4.22
    2,6-dimethyl-4-heptanol 1.17
    DEF 2.59
    dimethyl isosorbide 13.65
    tetrachloroethylene 4.16
    eugenol 2.63
    triacetin 3.98
    span 80 2.3
    1,4-butanediol 0.03
    1,1-dichloroethane 2.24
    2-methyl-1-pentanol 0.83
    methyl formate 0.15
    2-methyl-1-butanol 0.42
    n-decane 0.55
    butyronitrile 0.38
    3,7-dimethyl-1-octanol 0.85
    1-chlorooctane 1.66
    1-chlorotetradecane 0.59
    n-nonane 0.48
    undecane 0.31
    tert-butylcyclohexane 2.07
    cyclooctane 1.2
    cyclopentanol 0.42
    tetrahydropyran 5.25
    tert-amyl methyl ether 4.54
    2,5,8-trioxanonane 6.29
    1-hexene 2.73
    2-isopropoxyethanol 0.7
    2,2,2-trifluoroethanol 0.08
    methyl butyrate 3.83

    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