Isoduryl aldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5780-08-5

    Molecular formula
    C11H14O

    SMILES
    CC1=CC(=C(C(=C1C)C)C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 49.55%
    Phenolic 42.47%
    Spicy 40.62%
    Woody 37.43%
    Dry 35.63%
    Herbal 35.25%
    Musty 34.6%
    Powdery 33.57%
    Leathery 32.89%
    Tobacco 31.5%

     

    Flavor
    Phenolic 33.45%
    Woody 28.17%
    Nutty 25.91%
    Musty 24.87%
    Flat 23.83%
    Medicinal 23.52%
    Bitter 23.51%
    Burnt 23.34%
    Soybean 22.97%
    Cocoa 22.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.65 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Flash point

    • 112.77 ˚C est.

  • Synonyms

    • Isoduryl aldehyde
    • 5780-08-5
    • RefChem:149302
    • 2,3,4,6-tetramethylbenzaldehyde
    • Benzaldehyde, 2,3,4,6-tetramethyl-
    • SCHEMBL1313255
    • SCHEMBL1313257
    • 2,3,4,6-tetramethyl-benzaldehyde
    • 5780-08-5

  • Applications

    Isoduryl aldehyde (CAS 5780-08-5) is primarily used in perfumery as a fragrance ingredient and odorant, where it can act as a fixative or blending component to improve scent longevity. It is commonly employed as an intermediate in the synthesis of other fragrance materials, enabling the construction of longer-chain aroma compounds. In cosmetics and personal care, it appears as a fragrance ingredient contributing a characteristic note. In household products, it is used as a fragrance additive to impart specific odor profiles. In industrial manufacturing, it may serve as an intermediate feedstock for producing fragrance-related intermediates or specialty chemicals, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 990.26
    methanol 944.09
    isopropanol 560.44
    water 4.13
    ethyl acetate 1775.08
    n-propanol 953.42
    acetone 2103.44
    n-butanol 710.28
    acetonitrile 2401.44
    DMF 2152.78
    toluene 1163.39
    isobutanol 502.14
    1,4-dioxane 5041.48
    methyl acetate 1773.87
    THF 6143.02
    2-butanone 1916.54
    n-pentanol 417.69
    sec-butanol 482.82
    n-hexane 248.33
    ethylene glycol 119.34
    NMP 1949.9
    cyclohexane 401.14
    DMSO 1702.88
    n-butyl acetate 897.65
    n-octanol 193.61
    chloroform 3537.68
    n-propyl acetate 754.59
    acetic acid 507.76
    dichloromethane 4813.21
    cyclohexanone 2927.69
    propylene glycol 94.16
    isopropyl acetate 719.01
    DMAc 739.1
    2-ethoxyethanol 700.64
    isopentanol 442.96
    n-heptane 145.44
    ethyl formate 1006.28
    1,2-dichloroethane 4180.34
    n-hexanol 654.43
    2-methoxyethanol 1304.02
    isobutyl acetate 354.27
    tetrachloromethane 841.97
    n-pentyl acetate 460.26
    transcutol 1016.61
    n-heptanol 238.82
    ethylbenzene 529.71
    MIBK 637.6
    2-propoxyethanol 1132.63
    tert-butanol 588.17
    MTBE 1014.99
    2-butoxyethanol 410.06
    propionic acid 643.62
    o-xylene 498.28
    formic acid 247.83
    diethyl ether 2629.88
    m-xylene 626.84
    p-xylene 541.63
    chlorobenzene 1296.22
    dimethyl carbonate 555.37
    n-octane 68.33
    formamide 769.43
    cyclopentanone 4177.57
    2-pentanone 1565.34
    anisole 963.72
    cyclopentyl methyl ether 2582.11
    gamma-butyrolactone 3942.95
    1-methoxy-2-propanol 788.8
    pyridine 2571.65
    3-pentanone 1402.22
    furfural 1818.26
    n-dodecane 35.52
    diethylene glycol 534.88
    diisopropyl ether 471.04
    tert-amyl alcohol 469.01
    acetylacetone 1102.26
    n-hexadecane 43.52
    acetophenone 549.62
    methyl propionate 1446.69
    isopentyl acetate 678.76
    trichloroethylene 4608.56
    n-nonanol 174.89
    cyclohexanol 772.95
    benzyl alcohol 449.08
    2-ethylhexanol 322.58
    isooctanol 179.63
    dipropyl ether 743.69
    1,2-dichlorobenzene 927.58
    ethyl lactate 180.39
    propylene carbonate 1119.35
    n-methylformamide 1721.21
    2-pentanol 444.09
    n-pentane 223.11
    1-propoxy-2-propanol 559.96
    1-methoxy-2-propyl acetate 682.01
    2-(2-methoxypropoxy) propanol 252.52
    mesitylene 378.74
    ε-caprolactone 1861.84
    p-cymene 202.39
    epichlorohydrin 5241.79
    1,1,1-trichloroethane 2661.89
    2-aminoethanol 269.99
    morpholine-4-carbaldehyde 1937.87
    sulfolane 2833.8
    2,2,4-trimethylpentane 67.54
    2-methyltetrahydrofuran 3862.8
    n-hexyl acetate 581.96
    isooctane 69.58
    2-(2-butoxyethoxy)ethanol 392.16
    sec-butyl acetate 418.05
    tert-butyl acetate 730.02
    decalin 140.77
    glycerin 139.6
    diglyme 950.4
    acrylic acid 480.49
    isopropyl myristate 206.17
    n-butyric acid 757.26
    acetyl acetate 627.07
    di(2-ethylhexyl) phthalate 134.89
    ethyl propionate 803.92
    nitromethane 2156.92
    1,2-diethoxyethane 893.95
    benzonitrile 730.93
    trioctyl phosphate 119.26
    1-bromopropane 2055.97
    gamma-valerolactone 3601.43
    n-decanol 129.98
    triethyl phosphate 223.78
    4-methyl-2-pentanol 217.59
    propionitrile 1787.5
    vinylene carbonate 1086.64
    1,1,2-trichlorotrifluoroethane 874.88
    DMS 509.44
    cumene 267.57
    2-octanol 161.93
    2-hexanone 806.29
    octyl acetate 260.67
    limonene 312.4
    1,2-dimethoxyethane 1630.34
    ethyl orthosilicate 227.36
    tributyl phosphate 152.03
    diacetone alcohol 538.34
    N,N-dimethylaniline 433.69
    acrylonitrile 1944.75
    aniline 857.29
    1,3-propanediol 491.07
    bromobenzene 1409.2
    dibromomethane 3139.95
    1,1,2,2-tetrachloroethane 2720.73
    2-methyl-cyclohexyl acetate 379.08
    tetrabutyl urea 203.65
    diisobutyl methanol 173.72
    2-phenylethanol 505.31
    styrene 647.13
    dioctyl adipate 235.66
    dimethyl sulfate 672.21
    ethyl butyrate 559.31
    methyl lactate 269.8
    butyl lactate 201.26
    diethyl carbonate 340.2
    propanediol butyl ether 187.21
    triethyl orthoformate 351.94
    p-tert-butyltoluene 206.9
    methyl 4-tert-butylbenzoate 353.59
    morpholine 4666.76
    tert-butylamine 431.15
    n-dodecanol 98.43
    dimethoxymethane 1978.0
    ethylene carbonate 1032.97
    cyrene 299.27
    2-ethoxyethyl acetate 607.32
    2-ethylhexyl acetate 558.29
    1,2,4-trichlorobenzene 894.2
    4-methylpyridine 2106.15
    dibutyl ether 418.71
    2,6-dimethyl-4-heptanol 173.72
    DEF 1427.58
    dimethyl isosorbide 702.38
    tetrachloroethylene 2011.69
    eugenol 299.38
    triacetin 303.4
    span 80 213.24
    1,4-butanediol 146.76
    1,1-dichloroethane 2903.82
    2-methyl-1-pentanol 309.49
    methyl formate 1294.64
    2-methyl-1-butanol 446.37
    n-decane 66.39
    butyronitrile 1376.02
    3,7-dimethyl-1-octanol 171.61
    1-chlorooctane 264.82
    1-chlorotetradecane 92.53
    n-nonane 70.61
    undecane 47.41
    tert-butylcyclohexane 118.92
    cyclooctane 149.87
    cyclopentanol 1060.39
    tetrahydropyran 4675.34
    tert-amyl methyl ether 698.73
    2,5,8-trioxanonane 492.64
    1-hexene 621.95
    2-isopropoxyethanol 403.16
    2,2,2-trifluoroethanol 280.43
    methyl butyrate 897.17

    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