2,4-Dimethyl-3-cyclohexene carboxaldehyde

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  • Identifiers

    CAS number
    68039-49-6

    Molecular formula
    C9H14O

    SMILES
    CC1C=C(CCC1C=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 92.64%
    Herbal 67.47%
    Aldehydic 62.76%
    Floral 62.04%
    Leafy 56.52%
    Fresh 51.28%
    Citrus 50.28%
    Cortex 47.39%
    Woody 39.85%
    Ozone 33.89%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point est.
    80.36 ˚C

  • Synonyms

    • 68039-49-6
    • 2,4-Dimethyl-3-cyclohexenecarboxaldehyde
    • Ligustral
    • 2,4-Dimethylcyclohex-3-ene-1-carbaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-
    • 2,4-ivy carbaldehyde
    • 2,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDE
    • 2,4-Dimethyl-3-cyclohexene carboxaldehyde
    • Cyclal C
    • 452GFV2AFS
    • 2,4-dimethylcyclohex-3-enecarbaldehyde
    • BELAL
    • TRICYCLAL
    • TRIPRAL
    • ZESTOVER
    • DTXSID5044574
    • 68737-61-1
    • DTXCID3024574
    • EINECS 272-113-5
    • 3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-
    • FEMA NO. 4505, 2,4-DIMETHYL-
    • 2,4-DIMETHYL-3-CYCLOHEXENYLCARBALDEHYDE
    • 2,4(or 3,5)-Dimethylcyclohex-3-ene-1-carbaldehyde
    • (+/-)-2,4-DIMETHYL-3-CYCLOHEXENE CARBOXALDEHYDE
    • 4-Formyl-1,3-dimethylcyclohex-1-ene
    • UNII-452GFV2AFS
    • EINECS 268-264-1
    • MFCD00169841
    • 2,4-Dimethyl-cyclohex-3-enecarbaldehyde
    • 2,4-dimethyl-3-cyclohexene-1-carbaldehyde
    • 3-Cyclohexenene-1-carboxaldehyde, 2,4-dimethyl
    • Dimethyl tetrahydrobenzaldehyde
    • SCHEMBL115614
    • CHEMBL3185383
    • BCP29792
    • Tox21_301644
    • DIMETHYLTETRAHYDRO BENZALDEHYDE
    • STK760091
    • AKOS000555935
    • AKOS024307563
    • NCGC00255904-01
    • 2,4-Dimethyl-cyclohex-3-ene carbaldehyde
    • AS-64769
    • 2,4-dimethyl-3-cyclo-hexenecarboxaldehyde
    • 2,4-dimethyl-3-cyclohexene-carboxaldehyde
    • CAS-68039-49-6
    • DB-073959
    • CS-0206887
    • D5743
    • NS00012278
    • D95811
    • EN300-1700469
    • 2,4-Dimethyl-3-cyclohexenecarboxaldehyde, >=97%
    • Q27258798
    • 2,4-DIMETHYL-3-CYCLOHEXENE CARBOXALDEHYDE [INCI]
    • Z1198151600
    • 268-264-1
    • Vertocitral;2,4-Dimethylcyclohex-3-ene-1-carbaldehyde;2,4-Dimethyl-3-Cyclohexenecarboxaldehyde

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1208.98
    methanol 808.72
    isopropanol 908.11
    water 1.26
    ethyl acetate 1937.28
    n-propanol 974.9
    acetone 2125.28
    n-butanol 840.51
    acetonitrile 1868.85
    DMF 1179.18
    toluene 604.91
    isobutanol 659.08
    1,4-dioxane 2530.31
    methyl acetate 1481.86
    THF 3428.65
    2-butanone 1653.2
    n-pentanol 416.31
    sec-butanol 634.0
    n-hexane 74.45
    ethylene glycol 116.94
    NMP 1326.89
    cyclohexane 200.69
    DMSO 1438.74
    n-butyl acetate 1064.63
    n-octanol 225.19
    chloroform 3452.72
    n-propyl acetate 684.11
    acetic acid 1009.41
    dichloromethane 3566.61
    cyclohexanone 2087.4
    propylene glycol 165.43
    isopropyl acetate 909.01
    DMAc 583.43
    2-ethoxyethanol 539.15
    isopentanol 714.78
    n-heptane 70.77
    ethyl formate 837.41
    1,2-dichloroethane 2141.38
    n-hexanol 636.04
    2-methoxyethanol 1010.36
    isobutyl acetate 375.11
    tetrachloromethane 496.27
    n-pentyl acetate 429.76
    transcutol 3483.77
    n-heptanol 229.02
    ethylbenzene 212.2
    MIBK 645.46
    2-propoxyethanol 972.39
    tert-butanol 860.73
    MTBE 968.09
    2-butoxyethanol 433.93
    propionic acid 847.12
    o-xylene 277.56
    formic acid 259.51
    diethyl ether 1590.68
    m-xylene 372.04
    p-xylene 269.67
    chlorobenzene 961.7
    dimethyl carbonate 351.57
    n-octane 25.73
    formamide 471.86
    cyclopentanone 2556.45
    2-pentanone 1299.14
    anisole 510.86
    cyclopentyl methyl ether 1305.76
    gamma-butyrolactone 2817.16
    1-methoxy-2-propanol 752.01
    pyridine 1562.47
    3-pentanone 879.13
    furfural 1469.75
    n-dodecane 20.6
    diethylene glycol 552.3
    diisopropyl ether 353.51
    tert-amyl alcohol 567.87
    acetylacetone 1242.56
    n-hexadecane 24.49
    acetophenone 390.86
    methyl propionate 1117.25
    isopentyl acetate 814.69
    trichloroethylene 3681.62
    n-nonanol 188.87
    cyclohexanol 786.28
    benzyl alcohol 337.04
    2-ethylhexanol 336.22
    isooctanol 180.69
    dipropyl ether 533.22
    1,2-dichlorobenzene 713.93
    ethyl lactate 202.0
    propylene carbonate 1178.98
    n-methylformamide 835.43
    2-pentanol 555.96
    n-pentane 102.21
    1-propoxy-2-propanol 678.99
    1-methoxy-2-propyl acetate 881.03
    2-(2-methoxypropoxy) propanol 426.39
    mesitylene 220.77
    ε-caprolactone 1554.05
    p-cymene 158.52
    epichlorohydrin 2856.22
    1,1,1-trichloroethane 2029.36
    2-aminoethanol 278.15
    morpholine-4-carbaldehyde 1270.24
    sulfolane 1886.78
    2,2,4-trimethylpentane 44.12
    2-methyltetrahydrofuran 2476.42
    n-hexyl acetate 643.98
    isooctane 46.75
    2-(2-butoxyethoxy)ethanol 718.94
    sec-butyl acetate 431.78
    tert-butyl acetate 801.55
    decalin 66.32
    glycerin 223.47
    diglyme 1304.05
    acrylic acid 627.87
    isopropyl myristate 209.4
    n-butyric acid 1282.26
    acetyl acetate 871.3
    di(2-ethylhexyl) phthalate 175.94
    ethyl propionate 579.47
    nitromethane 2070.75
    1,2-diethoxyethane 1146.55
    benzonitrile 668.3
    trioctyl phosphate 127.98
    1-bromopropane 1236.22
    gamma-valerolactone 2419.27
    n-decanol 136.76
    triethyl phosphate 178.19
    4-methyl-2-pentanol 290.19
    propionitrile 1201.06
    vinylene carbonate 993.31
    1,1,2-trichlorotrifluoroethane 895.36
    DMS 485.0
    cumene 138.13
    2-octanol 147.91
    2-hexanone 630.28
    octyl acetate 262.3
    limonene 254.66
    1,2-dimethoxyethane 956.8
    ethyl orthosilicate 182.45
    tributyl phosphate 183.96
    diacetone alcohol 681.19
    N,N-dimethylaniline 231.12
    acrylonitrile 1200.34
    aniline 690.25
    1,3-propanediol 521.12
    bromobenzene 1034.54
    dibromomethane 2289.66
    1,1,2,2-tetrachloroethane 2097.24
    2-methyl-cyclohexyl acetate 353.73
    tetrabutyl urea 191.01
    diisobutyl methanol 201.09
    2-phenylethanol 435.95
    styrene 294.48
    dioctyl adipate 279.57
    dimethyl sulfate 422.53
    ethyl butyrate 614.82
    methyl lactate 279.17
    butyl lactate 279.48
    diethyl carbonate 334.66
    propanediol butyl ether 381.97
    triethyl orthoformate 334.14
    p-tert-butyltoluene 152.24
    methyl 4-tert-butylbenzoate 324.06
    morpholine 2697.04
    tert-butylamine 560.97
    n-dodecanol 102.26
    dimethoxymethane 963.0
    ethylene carbonate 870.44
    cyrene 314.63
    2-ethoxyethyl acetate 736.43
    2-ethylhexyl acetate 573.98
    1,2,4-trichlorobenzene 784.5
    4-methylpyridine 1419.49
    dibutyl ether 420.24
    2,6-dimethyl-4-heptanol 201.09
    DEF 996.82
    dimethyl isosorbide 777.67
    tetrachloroethylene 1369.25
    eugenol 317.0
    triacetin 494.58
    span 80 373.13
    1,4-butanediol 146.09
    1,1-dichloroethane 2390.66
    2-methyl-1-pentanol 375.84
    methyl formate 676.4
    2-methyl-1-butanol 590.67
    n-decane 36.66
    butyronitrile 1204.54
    3,7-dimethyl-1-octanol 235.5
    1-chlorooctane 191.15
    1-chlorotetradecane 68.22
    n-nonane 35.85
    undecane 26.61
    tert-butylcyclohexane 58.71
    cyclooctane 58.6
    cyclopentanol 900.63
    tetrahydropyran 2631.9
    tert-amyl methyl ether 526.55
    2,5,8-trioxanonane 706.6
    1-hexene 289.31
    2-isopropoxyethanol 401.07
    2,2,2-trifluoroethanol 319.79
    methyl butyrate 734.41

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.45 % Category 7A
Rinse-off products applied to the hair with some hand contact
 5.2 %
Category 2
Products applied to the axillae
 0.14 % Category 7B
Leave-on products applied to the hair with some hand contact
 5.2 %
Category 3
Products applied to the face/body using fingertips
 2.7 % Category 8
Products with significant anogenital exposure
 0.27 %
Category 4
Products related to fine fragrance
 2.5 % Category 9
Products with body and hand exposure, primarily rinse off
 4.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.64 % Category 10A
Household care products with mostly hand contact
 18 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.64 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 18 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.64 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 9.8 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.64 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 9.8 %
Category 6
Products with oral and lip exposure
 1.5 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction