Lutein A

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  • Identifiers

    CAS number
    127-40-2

    Molecular formula
    C40H56O2

    SMILES
    CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 60.97%
    Balsamic 47.06%
    Sweet 45.83%
    Floral 43.78%
    Fruity 36.99%
    Tropical 34.24%
    Sandalwood 33.09%
    Powdery 31.83%
    Berry 30.59%
    Spicy 28.4%

     

    Flavor
    Balsam 35.86%
    Balsamic 25.48%
    Oriental 24.75%
    Wood 22.18%
    Spicy 21.04%
    Diterpene 20.94%
    Low 20.94%
    Ocimene 19.92%
    Opoponax 19.9%
    Mouldy 19.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.0

    pKa est.
    8.03 (weak base)

    Molecular weight
    568.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1138°C

    Melting point expt.

    • 196 °C

    Flash point

    • 297.76 ˚C est.

    Solubility expt.

    • Insoluble

  • Synonyms

    • Lutein
    • 127-40-2
    • all-trans-Lutein
    • Vegetable lutein
    • Vegetable luteol
    • trans-Lutein
    • Lutein A
    • Xantofyl
    • all-trans-Xanthophyll
    • FloraGLO
    • FloraGLO Lutein
    • beta,epsilon-Carotene-3,3'-diol, (3R,3'R,6'R)-
    • E 161b
    • Oro Glo 7
    • Leutein
    • OS 24
    • INS NO.161B(I)
    • X72A60C9MT
    • DTXSID8046749
    • INS-161B(I)
    • E 161
    • E-161B
    • E-161B(I)
    • NSC-59193
    • (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
    • DTXCID6026749
    • CHEBI:28838
    • (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol
    • NSC59193
    • Leutin
    • gamma Lutein
    • Lutein, gamma
    • Noon for Kids
    • (1R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol
    • RefChem:5966
    • beta,epsilon-Carotene-3, 3'-Diol, (3R,3'R,6'S)-
    • beta,epsilon-Carotene-3,3'-diol, (3S,3'R,6'S)-
    • 204-840-0
    • 4-(18-(4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-3,5,5-trimethyl-cyclohex-3-en-1-ol
    • Bo-Xan
    • Lutein ester
    • all-trans-(+)-Xanthophyll
    • Lutein, all-trans-
    • Xanthophyll, all-trans-(+)-
    • (3R,3'R,6'R)-Lutein
    • beta,epsilon-Carotene-3,3'-diol
    • Xanthophyll (~80%)
    • MFCD08435941
    • Lutein from tagetes erecta
    • ( inverted exclamation markA)-Lutein
    • .beta.,.epsilon.-Carotene-3,3'-diol
    • .beta.,.epsilon.-Carotene-3,3'-diol, (3R,3'R,6'R)-
    • A1LXP
    • Lutamax
    • (3R,3'R,6R)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol
    • (1R,4R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-3,5,5-trimethylcyclohex-2-enol
    • (all-E)-Lutein
    • UNII-X72A60C9MT
    • Lutein; Xantofyl
    • NCGC00167965-01
    • Lutein (Standard)
    • EINECS 204-840-0
    • ()-Lutein
    • NSC 59193
    • Lutein (Xanthophyll)
    • Lutein - 5%
    • Lutein, 88%
    • Xanthophyll, tech grade
    • LEUTEIN [VANDF]
    • LUTEIN [VANDF]
    • e-carotene-3,3'-diol
    • Lutein - 10%
    • Lutein - 20%
    • Lutein - 50%
    • Lutein - 95%
    • LUTEIN [DSC]
    • LUTEIN [FCC]
    • XANTHOPHYLL [MI]
    • LUTEIN [USP-RS]
    • LUTEIN [MART.]
    • Xanthophyll, from marigold
    • XANTOFYL [WHO-DD]
    • Lutein, analytical standard
    • SCHEMBL19342
    • 3,3'-Dihydroxy-alpha-carotene
    • CHEMBL173929
    • orb1303373
    • orb3025387
    • (invertedexclamationmarkA)-Lutein
    • BCBcMAP01_000190
    • GTPL13099
    • HY-N6947R
    • MSK1576
    • HMS3886I13
    • HY-N6947
    • (3R,3'R)-dihydroxy-alpha-carotene
    • Tox21_112594
    • BBL101804
    • EBC-27330
    • LMPR01070274
    • s5103
    • STL555601
    • AKOS008901394
    • CCG-270087
    • DB00137
    • FX28735
    • SMP1_000317
    • NCGC00476107-01
    • (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
    • AS-63011
    • CAS-127-40-2
    • FL138925
    • FX160846
    • XL176941
    • XL176947
    • XL176948
    • CS-0015250
    • NS00019507
    • (3R,3'R,6'R)-?,?-Carotene-3,3'-diol
    • C08601
    • BRD-K16742848-001-01-8
    • BRD-K16742848-001-02-6
    • Q63409232
    • 4',5'-Didehydro-6'-hydro-.beta.-carotene-3,3'-diol #
    • AB972DAC-E626-49F1-898D-598AF7729FD0
    • Lutein, Pharmaceutical Secondary Standard; Certified Reference Material
    • (3R,3'R,6R)-4,5-DIDEHYDRO-5,6-DIHYDRO-.BETA.,.BETA.-CAROTENE-3,3'-DIOL
    • 127-40-2

  • Applications

    Lutein A (CAS 127-40-2) is a natural carotenoid pigment with antioxidant properties used across several industries; in cosmetics and personal care it provides yellow to orange coloration and may help protect formulations from oxidative degradation, in food processing it serves as a colorant and is commonly evaluated for use in nutraceuticals and dietary supplements, in agriculture and animal feed it is employed to pigment yolks and flesh in poultry and aquaculture, and in coatings, inks, and plastics it acts as a pigment additive to support color stability. Applications are typically governed by formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.22
    methanol 0.72
    isopropanol 0.01
    water 0.0
    ethyl acetate 0.21
    n-propanol 0.13
    acetone 0.12
    n-butanol 0.12
    acetonitrile 0.03
    DMF 0.58
    toluene 0.68
    isobutanol 0.04
    1,4-dioxane 0.75
    methyl acetate 0.13
    THF 3.73
    2-butanone 0.33
    n-pentanol 0.2
    sec-butanol 0.03
    n-hexane 0.06
    ethylene glycol 0.0
    NMP 3.45
    cyclohexane 0.05
    DMSO 0.3
    n-butyl acetate 0.55
    n-octanol 0.21
    chloroform 1.43
    n-propyl acetate 0.43
    acetic acid 0.14
    dichloromethane 1.47
    cyclohexanone 1.08
    propylene glycol 0.01
    isopropyl acetate 0.15
    DMAc 1.57
    2-ethoxyethanol 0.59
    isopentanol 0.08
    n-heptane 0.07
    ethyl formate 0.23
    1,2-dichloroethane 0.48
    n-hexanol 0.23
    2-methoxyethanol 0.4
    isobutyl acetate 0.36
    tetrachloromethane 0.14
    n-pentyl acetate 0.76
    transcutol 3.58
    n-heptanol 0.3
    ethylbenzene 0.51
    MIBK 0.25
    2-propoxyethanol 1.1
    tert-butanol 0.01
    MTBE 0.14
    2-butoxyethanol 1.12
    propionic acid 0.08
    o-xylene 0.31
    formic acid 0.13
    diethyl ether 0.24
    m-xylene 0.39
    p-xylene 0.37
    chlorobenzene 0.64
    dimethyl carbonate 0.14
    n-octane 0.03
    formamide 0.14
    cyclopentanone 1.44
    2-pentanone 0.3
    anisole 1.25
    cyclopentyl methyl ether 1.04
    gamma-butyrolactone 1.27
    1-methoxy-2-propanol 0.19
    pyridine 1.61
    3-pentanone 0.33
    furfural 1.76
    n-dodecane 0.01
    diethylene glycol 0.16
    diisopropyl ether 0.05
    tert-amyl alcohol 0.05
    acetylacetone 0.32
    n-hexadecane 0.01
    acetophenone 1.08
    methyl propionate 0.28
    isopentyl acetate 0.64
    trichloroethylene 1.59
    n-nonanol 0.29
    cyclohexanol 0.09
    benzyl alcohol 0.44
    2-ethylhexanol 0.32
    isooctanol 0.29
    dipropyl ether 0.71
    1,2-dichlorobenzene 0.68
    ethyl lactate 0.18
    propylene carbonate 0.53
    n-methylformamide 0.26
    2-pentanol 0.03
    n-pentane 0.03
    1-propoxy-2-propanol 0.63
    1-methoxy-2-propyl acetate 0.91
    2-(2-methoxypropoxy) propanol 1.74
    mesitylene 0.17
    ε-caprolactone 1.37
    p-cymene 0.28
    epichlorohydrin 2.1
    1,1,1-trichloroethane 0.23
    2-aminoethanol 0.03
    morpholine-4-carbaldehyde 2.27
    sulfolane 1.99
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 1.27
    n-hexyl acetate 0.9
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 1.85
    sec-butyl acetate 0.32
    tert-butyl acetate 0.32
    decalin 0.06
    glycerin 0.02
    diglyme 4.13
    acrylic acid 0.08
    isopropyl myristate 0.29
    n-butyric acid 0.21
    acetyl acetate 0.15
    di(2-ethylhexyl) phthalate 0.55
    ethyl propionate 0.43
    nitromethane 0.26
    1,2-diethoxyethane 1.16
    benzonitrile 0.28
    trioctyl phosphate 0.26
    1-bromopropane 0.39
    gamma-valerolactone 3.46
    n-decanol 0.16
    triethyl phosphate 0.53
    4-methyl-2-pentanol 0.04
    propionitrile 0.08
    vinylene carbonate 0.62
    1,1,2-trichlorotrifluoroethane 0.89
    DMS 0.32
    cumene 0.3
    2-octanol 0.12
    2-hexanone 0.68
    octyl acetate 0.42
    limonene 0.39
    1,2-dimethoxyethane 1.86
    ethyl orthosilicate 0.69
    tributyl phosphate 0.3
    diacetone alcohol 0.26
    N,N-dimethylaniline 1.01
    acrylonitrile 0.1
    aniline 0.3
    1,3-propanediol 0.06
    bromobenzene 0.81
    dibromomethane 0.79
    1,1,2,2-tetrachloroethane 0.88
    2-methyl-cyclohexyl acetate 1.22
    tetrabutyl urea 0.58
    diisobutyl methanol 0.11
    2-phenylethanol 0.65
    styrene 0.48
    dioctyl adipate 0.78
    dimethyl sulfate 0.29
    ethyl butyrate 0.86
    methyl lactate 0.11
    butyl lactate 0.5
    diethyl carbonate 0.36
    propanediol butyl ether 0.44
    triethyl orthoformate 0.99
    p-tert-butyltoluene 0.26
    methyl 4-tert-butylbenzoate 1.65
    morpholine 1.12
    tert-butylamine 0.01
    n-dodecanol 0.08
    dimethoxymethane 0.7
    ethylene carbonate 0.38
    cyrene 2.01
    2-ethoxyethyl acetate 1.29
    2-ethylhexyl acetate 0.79
    1,2,4-trichlorobenzene 0.81
    4-methylpyridine 1.04
    dibutyl ether 0.47
    2,6-dimethyl-4-heptanol 0.11
    DEF 0.64
    dimethyl isosorbide 4.43
    tetrachloroethylene 0.69
    eugenol 1.41
    triacetin 0.88
    span 80 1.07
    1,4-butanediol 0.03
    1,1-dichloroethane 0.16
    2-methyl-1-pentanol 0.27
    methyl formate 0.2
    2-methyl-1-butanol 0.12
    n-decane 0.04
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.21
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.06
    cyclooctane 0.03
    cyclopentanol 0.08
    tetrahydropyran 0.91
    tert-amyl methyl ether 0.35
    2,5,8-trioxanonane 2.66
    1-hexene 0.25
    2-isopropoxyethanol 0.33
    2,2,2-trifluoroethanol 0.03
    methyl butyrate 0.65

    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