Hexahydrocurcumin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    36062-05-2

    Molecular formula
    C21H26O6

    SMILES
    COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC(=C(C=C2)O)OC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 56.85%
    Sweet 53.42%
    Spicy 46.53%
    Balsamic 38.87%
    Odorless 33.86%
    Creamy 33.46%
    Milky 28.5%
    Powdery 28.41%
    Savory 28.19%
    Smoky 25.3%

     

    Flavor
    Bitter 39.34%
    Odorless 35.66%
    Mild 32.4%
    Sweet 30.39%
    Woody 28.8%
    Bland 28.38%
    Spicy 25.41%
    Sweet-like 21.33%
    Ham 20.86%
    Parsley 20.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    10.86 (weak base)

    Molecular weight
    374.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    728°C

    Flash point

    • 221.76 ˚C est.

  • Synonyms

    • Hexahydrocurcumin
    • 36062-05-2
    • 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one
    • 3-Heptanone, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-
    • RNL5XJ2BA7
    • C17826
    • DTXSID00415731
    • RefChem:146052
    • DTXCID20830068
    • 924-435-9
    • Curcumin, hexahydro-
    • 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-3-heptanone
    • (RS)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-3-heptanone
    • UNII-RNL5XJ2BA7
    • 5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptan-3-one
    • 5-hydroxy-1,7-bis(4-hydroxy-3-methoxylphenyl)-3-heptanone
    • 3-Heptanone, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-; 5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-3-heptanone; Hexahydrocurcumin
    • Curcumin Impurity 1
    • Hexahydrocurcumin (Standard)
    • SCHEMBL290121
    • CHEMBL479650
    • MEGxp0_001211
    • orb1296075
    • SCHEMBL29841863
    • CHEBI:81358
    • HY-N0929R
    • HMS6018D03
    • HY-N0929
    • Hexahydrocurcumin, analytical standard
    • CS-4377
    • EBC-616765
    • MS-26053
    • XH178625
    • E80659
    • Q27155296
    • 1,7-Bis(4-hydroxy-3-methoxyphenyl)-5-heptanol-3-one
    • 5-hydroxy-1,7-bis(4-hydrox-3-methoxyphenyl)-3-heptanone
    • 36062-05-2

  • Applications

    Hexahydrocurcumin (CAS 36062-05-2) is a hydrogenated derivative of curcumin and is primarily used as an intermediate for synthesizing curcuminoid derivatives. In practical applications, it is evaluated as an antioxidant and stabilizer in cosmetics and personal care formulations, helping to protect ingredients from oxidation. It is also studied as a stabilizer and antioxidant for polymers, plastics, and related materials. It is considered an important intermediate for the synthesis of curcuminoid derivatives and may be used in pharmaceutical research. Additionally, its properties make it suitable for coatings and inks applications, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.45
    methanol 33.31
    isopropanol 19.67
    water 0.04
    ethyl acetate 9.77
    n-propanol 26.26
    acetone 113.11
    n-butanol 10.9
    acetonitrile 10.3
    DMF 102.79
    toluene 2.41
    isobutanol 9.35
    1,4-dioxane 71.27
    methyl acetate 16.35
    THF 679.88
    2-butanone 39.84
    n-pentanol 10.18
    sec-butanol 14.57
    n-hexane 0.2
    ethylene glycol 11.86
    NMP 34.43
    cyclohexane 0.43
    DMSO 2055.19
    n-butyl acetate 3.08
    n-octanol 6.34
    chloroform 14.89
    n-propyl acetate 5.73
    acetic acid 47.92
    dichloromethane 17.24
    cyclohexanone 49.24
    propylene glycol 20.19
    isopropyl acetate 6.01
    DMAc 128.34
    2-ethoxyethanol 55.51
    isopentanol 6.79
    n-heptane 0.31
    ethyl formate 11.2
    1,2-dichloroethane 16.65
    n-hexanol 5.67
    2-methoxyethanol 93.58
    isobutyl acetate 3.2
    tetrachloromethane 1.39
    n-pentyl acetate 5.95
    transcutol 62.47
    n-heptanol 5.77
    ethylbenzene 1.48
    MIBK 8.49
    2-propoxyethanol 33.32
    tert-butanol 22.52
    MTBE 7.59
    2-butoxyethanol 20.02
    propionic acid 17.71
    o-xylene 1.69
    formic acid 25.7
    diethyl ether 7.64
    m-xylene 1.15
    p-xylene 1.83
    chlorobenzene 3.2
    dimethyl carbonate 12.37
    n-octane 0.3
    formamide 53.75
    cyclopentanone 136.91
    2-pentanone 20.71
    anisole 7.33
    cyclopentyl methyl ether 17.8
    gamma-butyrolactone 85.73
    1-methoxy-2-propanol 49.93
    pyridine 24.76
    3-pentanone 12.42
    furfural 34.92
    n-dodecane 0.33
    diethylene glycol 34.87
    diisopropyl ether 1.3
    tert-amyl alcohol 13.74
    acetylacetone 40.44
    n-hexadecane 0.37
    acetophenone 9.63
    methyl propionate 13.45
    isopentyl acetate 4.03
    trichloroethylene 26.69
    n-nonanol 6.84
    cyclohexanol 10.86
    benzyl alcohol 10.45
    2-ethylhexanol 2.9
    isooctanol 4.78
    dipropyl ether 4.36
    1,2-dichlorobenzene 3.19
    ethyl lactate 8.48
    propylene carbonate 14.15
    n-methylformamide 38.36
    2-pentanol 5.09
    n-pentane 0.13
    1-propoxy-2-propanol 17.23
    1-methoxy-2-propyl acetate 10.92
    2-(2-methoxypropoxy) propanol 19.99
    mesitylene 0.73
    ε-caprolactone 24.01
    p-cymene 1.13
    epichlorohydrin 101.32
    1,1,1-trichloroethane 6.03
    2-aminoethanol 22.25
    morpholine-4-carbaldehyde 48.45
    sulfolane 160.01
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 47.85
    n-hexyl acetate 8.4
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 28.93
    sec-butyl acetate 3.15
    tert-butyl acetate 8.99
    decalin 0.29
    glycerin 33.01
    diglyme 55.08
    acrylic acid 18.68
    isopropyl myristate 3.8
    n-butyric acid 14.13
    acetyl acetate 8.81
    di(2-ethylhexyl) phthalate 5.16
    ethyl propionate 5.48
    nitromethane 108.82
    1,2-diethoxyethane 14.58
    benzonitrile 6.41
    trioctyl phosphate 4.0
    1-bromopropane 4.34
    gamma-valerolactone 101.89
    n-decanol 4.97
    triethyl phosphate 4.43
    4-methyl-2-pentanol 2.82
    propionitrile 9.27
    vinylene carbonate 13.0
    1,1,2-trichlorotrifluoroethane 52.34
    DMS 9.39
    cumene 1.08
    2-octanol 3.93
    2-hexanone 10.64
    octyl acetate 5.28
    limonene 1.75
    1,2-dimethoxyethane 73.36
    ethyl orthosilicate 4.1
    tributyl phosphate 4.48
    diacetone alcohol 22.48
    N,N-dimethylaniline 4.94
    acrylonitrile 13.58
    aniline 6.89
    1,3-propanediol 31.44
    bromobenzene 2.44
    dibromomethane 8.09
    1,1,2,2-tetrachloroethane 24.64
    2-methyl-cyclohexyl acetate 5.46
    tetrabutyl urea 7.84
    diisobutyl methanol 2.17
    2-phenylethanol 7.61
    styrene 1.91
    dioctyl adipate 7.89
    dimethyl sulfate 29.97
    ethyl butyrate 3.75
    methyl lactate 16.79
    butyl lactate 8.36
    diethyl carbonate 3.35
    propanediol butyl ether 17.88
    triethyl orthoformate 4.97
    p-tert-butyltoluene 1.08
    methyl 4-tert-butylbenzoate 12.58
    morpholine 91.91
    tert-butylamine 4.73
    n-dodecanol 3.57
    dimethoxymethane 78.92
    ethylene carbonate 11.24
    cyrene 23.7
    2-ethoxyethyl acetate 12.67
    2-ethylhexyl acetate 2.64
    1,2,4-trichlorobenzene 4.81
    4-methylpyridine 11.68
    dibutyl ether 5.74
    2,6-dimethyl-4-heptanol 2.17
    DEF 18.26
    dimethyl isosorbide 29.8
    tetrachloroethylene 12.92
    eugenol 12.93
    triacetin 13.17
    span 80 14.31
    1,4-butanediol 15.15
    1,1-dichloroethane 7.54
    2-methyl-1-pentanol 6.54
    methyl formate 34.29
    2-methyl-1-butanol 6.96
    n-decane 0.63
    butyronitrile 6.89
    3,7-dimethyl-1-octanol 4.54
    1-chlorooctane 2.68
    1-chlorotetradecane 1.11
    n-nonane 0.5
    undecane 0.44
    tert-butylcyclohexane 0.21
    cyclooctane 0.17
    cyclopentanol 23.96
    tetrahydropyran 46.83
    tert-amyl methyl ether 5.89
    2,5,8-trioxanonane 41.77
    1-hexene 1.13
    2-isopropoxyethanol 25.24
    2,2,2-trifluoroethanol 16.45
    methyl butyrate 8.31

    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