3-Methylundecanal

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  • Identifiers

    CAS number
    77772-06-6

    Molecular formula
    C12H24O

    SMILES
    CCCCCCCCC(C)CC=O

    Safety labels

  • Odor profile

    Fragrance
    Citrus 79.39%
    Waxy 68.74%
    Green 67.06%
    Fatty 66.63%
    Aldehydic 61.22%
    Fresh 58.11%
    Orange 56.97%
    Floral 54.52%
    Sweet 50.06%
    Fruity 49.09%

     

    Flavor
    Waxy 69.43%
    Citrus 61.52%
    Aldehydic 54.03%
    Fresh 52.53%
    Floral 50.35%
    Fat 44.73%
    Fatty 44.05%
    Green 41.75%
    Soapy 39.86%
    Orange 39.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.42 (neutral)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    237°C

    Flash point

    • 99.14 ˚C est.

  • Synonyms

    • 3-Methylundecanal
    • 77772-06-6
    • EINECS 278-766-2
    • DTXSID50998963
    • RefChem:94976
    • DTXCID801425942
    • 278-766-2
    • 3-methyl undecanal
    • Undecanal, 3-methyl-
    • C89K7LVV2X
    • SCHEMBL158205
    • SCHEMBL8079439
    • SXYARAIVIPVMGK-UHFFFAOYSA-N
    • NS00058572
    • 77772-06-6

  • Applications

    3-Methylundecanal (CAS 77772-06-6) is a long-chain aldehyde used primarily as a fragrance ingredient and odorant in perfumery, where its woody and green notes and its low volatility support a subtle fixative effect in extended fragrance blends. In cosmetics and personal care, it contributes to scent formulations as a fragrance component. In household products, it serves as a fragrance additive in cleaners and detergents to impart aroma and persistence. In industrial manufacturing, it is commonly used as an intermediate for the synthesis of other fragrance compounds and related aroma chemicals, acting as a building block in fragrance development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9247.98
    methanol 5902.12
    isopropanol 11633.08
    water 0.02
    ethyl acetate 9492.93
    n-propanol 8856.38
    acetone 14541.02
    n-butanol 8534.87
    acetonitrile 5975.95
    DMF 5058.66
    toluene 2385.7
    isobutanol 6815.29
    1,4-dioxane 8235.09
    methyl acetate 4956.73
    THF 15532.04
    2-butanone 10394.84
    n-pentanol 5163.14
    sec-butanol 7905.48
    n-hexane 4589.66
    ethylene glycol 283.81
    NMP 2888.21
    cyclohexane 4882.5
    DMSO 6783.2
    n-butyl acetate 8295.98
    n-octanol 1432.95
    chloroform 9362.53
    n-propyl acetate 6443.34
    acetic acid 2425.21
    dichloromethane 9580.42
    cyclohexanone 12070.15
    propylene glycol 948.94
    isopropyl acetate 5880.08
    DMAc 2467.55
    2-ethoxyethanol 3802.85
    isopentanol 7347.37
    n-heptane 1834.85
    ethyl formate 3301.98
    1,2-dichloroethane 8740.44
    n-hexanol 5671.15
    2-methoxyethanol 6403.29
    isobutyl acetate 3289.08
    tetrachloromethane 2003.87
    n-pentyl acetate 3175.33
    transcutol 10014.5
    n-heptanol 1649.69
    ethylbenzene 1315.38
    MIBK 4913.11
    2-propoxyethanol 5804.89
    tert-butanol 11364.55
    MTBE 11196.08
    2-butoxyethanol 2528.99
    propionic acid 2984.14
    o-xylene 1202.13
    formic acid 293.23
    diethyl ether 14500.68
    m-xylene 1527.28
    p-xylene 1578.67
    chlorobenzene 2853.77
    dimethyl carbonate 599.08
    n-octane 458.86
    formamide 592.57
    cyclopentanone 8974.54
    2-pentanone 10864.66
    anisole 2032.09
    cyclopentyl methyl ether 8826.06
    gamma-butyrolactone 6561.06
    1-methoxy-2-propanol 6046.15
    pyridine 6185.43
    3-pentanone 5257.53
    furfural 3606.06
    n-dodecane 167.5
    diethylene glycol 1859.18
    diisopropyl ether 3597.18
    tert-amyl alcohol 6941.01
    acetylacetone 5122.32
    n-hexadecane 207.32
    acetophenone 1552.34
    methyl propionate 4555.79
    isopentyl acetate 6261.52
    trichloroethylene 9811.82
    n-nonanol 1192.41
    cyclohexanol 7407.37
    benzyl alcohol 1479.52
    2-ethylhexanol 3572.19
    isooctanol 1453.6
    dipropyl ether 7748.49
    1,2-dichlorobenzene 2248.16
    ethyl lactate 1083.05
    propylene carbonate 3320.24
    n-methylformamide 2535.27
    2-pentanol 6975.69
    n-pentane 2592.67
    1-propoxy-2-propanol 5969.58
    1-methoxy-2-propyl acetate 4359.14
    2-(2-methoxypropoxy) propanol 1420.12
    mesitylene 1068.14
    ε-caprolactone 7282.6
    p-cymene 897.53
    epichlorohydrin 8668.93
    1,1,1-trichloroethane 7849.02
    2-aminoethanol 1341.45
    morpholine-4-carbaldehyde 3665.84
    sulfolane 5692.21
    2,2,4-trimethylpentane 579.15
    2-methyltetrahydrofuran 13892.02
    n-hexyl acetate 3558.66
    isooctane 588.42
    2-(2-butoxyethoxy)ethanol 2446.76
    sec-butyl acetate 4117.56
    tert-butyl acetate 5318.27
    decalin 971.15
    glycerin 724.34
    diglyme 4970.79
    acrylic acid 1370.17
    isopropyl myristate 1076.38
    n-butyric acid 7822.75
    acetyl acetate 2661.27
    di(2-ethylhexyl) phthalate 584.31
    ethyl propionate 4645.47
    nitromethane 4170.11
    1,2-diethoxyethane 7032.07
    benzonitrile 2363.53
    trioctyl phosphate 526.32
    1-bromopropane 9282.57
    gamma-valerolactone 9098.45
    n-decanol 803.27
    triethyl phosphate 957.36
    4-methyl-2-pentanol 2896.48
    propionitrile 6110.63
    vinylene carbonate 2302.42
    1,1,2-trichlorotrifluoroethane 3391.14
    DMS 1294.99
    cumene 807.67
    2-octanol 1259.49
    2-hexanone 7101.03
    octyl acetate 1167.64
    limonene 2118.8
    1,2-dimethoxyethane 8554.09
    ethyl orthosilicate 1109.45
    tributyl phosphate 767.15
    diacetone alcohol 4036.56
    N,N-dimethylaniline 1038.55
    acrylonitrile 4195.54
    aniline 2712.73
    1,3-propanediol 2850.89
    bromobenzene 3174.04
    dibromomethane 8401.74
    1,1,2,2-tetrachloroethane 8002.03
    2-methyl-cyclohexyl acetate 2168.34
    tetrabutyl urea 901.49
    diisobutyl methanol 1951.52
    2-phenylethanol 1775.37
    styrene 1779.22
    dioctyl adipate 1226.22
    dimethyl sulfate 801.57
    ethyl butyrate 5156.79
    methyl lactate 1029.81
    butyl lactate 1713.18
    diethyl carbonate 1996.79
    propanediol butyl ether 1518.85
    triethyl orthoformate 2574.7
    p-tert-butyltoluene 860.24
    methyl 4-tert-butylbenzoate 1120.25
    morpholine 12649.36
    tert-butylamine 8133.64
    n-dodecanol 595.04
    dimethoxymethane 4346.98
    ethylene carbonate 2634.86
    cyrene 929.84
    2-ethoxyethyl acetate 2957.6
    2-ethylhexyl acetate 4535.22
    1,2,4-trichlorobenzene 2187.61
    4-methylpyridine 6240.1
    dibutyl ether 4886.86
    2,6-dimethyl-4-heptanol 1951.52
    DEF 6704.68
    dimethyl isosorbide 2414.52
    tetrachloroethylene 5099.68
    eugenol 979.37
    triacetin 1644.34
    span 80 1457.76
    1,4-butanediol 899.32
    1,1-dichloroethane 11163.13
    2-methyl-1-pentanol 3893.58
    methyl formate 1318.77
    2-methyl-1-butanol 5804.01
    n-decane 410.31
    butyronitrile 8652.96
    3,7-dimethyl-1-octanol 1764.35
    1-chlorooctane 1467.5
    1-chlorotetradecane 419.76
    n-nonane 504.61
    undecane 249.45
    tert-butylcyclohexane 903.54
    cyclooctane 1086.8
    cyclopentanol 6168.58
    tetrahydropyran 18908.23
    tert-amyl methyl ether 5642.23
    2,5,8-trioxanonane 2322.35
    1-hexene 9983.78
    2-isopropoxyethanol 3097.99
    2,2,2-trifluoroethanol 439.01
    methyl butyrate 6619.18

    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