4-(Propan-2-yl)cyclohex-3-ene-1-carbaldehyde

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  • Identifiers

    CAS number
    27841-22-1

    Molecular formula
    C10H16O

    SMILES
    CC(C)C1=CCC(CC1)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 74.62%
    Aldehydic 62.95%
    Herbal 60.88%
    Fresh 57.7%
    Floral 52.32%
    Citrus 47.1%
    Spicy 46.52%
    Woody 41.43%
    Ozone 40.2%
    Leafy 37.47%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point est.
    89.13 ˚C

  • Synonyms

    • 27841-22-1
    • 3-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-
    • 3-p-Menthen-7-al
    • T7QZ3GA2CW
    • Fema No. 4890
    • 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 4-isopropyl-
    • UNII-T7QZ3GA2CW
    • 4-Isopropyl-3-cyclohexene-1-carbaldehyde
    • DTXSID90575474
    • 4-(Propan-2-yl)cyclohex-3-ene-1-carbaldehyde
    • 4-(1-Methylethyl)-3-cyclohexene-1-carboxaldehyde
    • p-mentha-3-en-7-al
    • SCHEMBL4451624
    • DTXCID10526246
    • CBA84122
    • 4-Isopropylcyclohex-3-enecarbaldehyde
    • 4-isopropyl-3-cyclohexene-1-carboxaldehyde
    • 4-ISOPROPYLCYCLOHEX-3-ENE-1-CARBALDEHYDE
    • EN300-6808812
    • Z1511819317
    • 854-628-2

  • Applications

    4-(Propan-2-yl)cyclohex-3-ene-1-carbaldehyde (CAS 27841-22-1) is a terpenoid-like alicyclic unsaturated aldehyde used as a versatile intermediate in fragrance chemistry to build citrus, green-herbal and warm-woody accords; as a precursor to the corresponding alcohols/acids/acetals or to imines/oximes/hydrazones to tune odour longevity, volatility and profile; as a reactive handle for aldol, Henry, redox, Diels–Alder and selective hydrogenation steps to access functionalized cyclohexyl derivatives; as a hydrophobic cyclohexyl–isopropyl scaffold in pharmaceutical and agrochemical lead generation; as a functional handle for grafting aromas onto polymers or for microencapsulation to control release; and as a reference material in studies of allylic aldehyde reactivity and structure–odour relationships; for consumer applications, appropriate safety assessment, purity control and regulatory compliance (e.g., IFRA/REACH) are required.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 672.71
    methanol 665.3
    isopropanol 492.31
    water 0.44
    ethyl acetate 1348.8
    n-propanol 616.8
    acetone 1718.43
    n-butanol 562.46
    acetonitrile 1373.87
    DMF 1249.41
    toluene 788.48
    isobutanol 408.41
    1,4-dioxane 1544.98
    methyl acetate 1098.7
    THF 2065.94
    2-butanone 1444.57
    n-pentanol 343.73
    sec-butanol 430.78
    n-hexane 108.62
    ethylene glycol 90.12
    NMP 1479.82
    cyclohexane 176.77
    DMSO 1805.45
    n-butyl acetate 990.87
    n-octanol 153.56
    chloroform 2984.22
    n-propyl acetate 753.62
    acetic acid 667.92
    dichloromethane 2891.44
    cyclohexanone 1683.63
    propylene glycol 136.07
    isopropyl acetate 675.9
    DMAc 765.01
    2-ethoxyethanol 520.07
    isopentanol 508.26
    n-heptane 45.0
    ethyl formate 640.41
    1,2-dichloroethane 2046.58
    n-hexanol 402.66
    2-methoxyethanol 828.35
    isobutyl acetate 384.28
    tetrachloromethane 636.4
    n-pentyl acetate 456.87
    transcutol 3950.48
    n-heptanol 163.17
    ethylbenzene 325.06
    MIBK 544.8
    2-propoxyethanol 734.77
    tert-butanol 598.97
    MTBE 814.18
    2-butoxyethanol 388.06
    propionic acid 626.19
    o-xylene 398.83
    formic acid 229.64
    diethyl ether 1051.56
    m-xylene 456.77
    p-xylene 375.83
    chlorobenzene 1226.03
    dimethyl carbonate 323.82
    n-octane 13.05
    formamide 502.99
    cyclopentanone 2131.23
    2-pentanone 1157.33
    anisole 741.04
    cyclopentyl methyl ether 1050.58
    gamma-butyrolactone 2208.05
    1-methoxy-2-propanol 640.37
    pyridine 1765.37
    3-pentanone 887.0
    furfural 1840.91
    n-dodecane 7.67
    diethylene glycol 422.76
    diisopropyl ether 272.91
    tert-amyl alcohol 505.22
    acetylacetone 1096.8
    n-hexadecane 9.75
    acetophenone 599.98
    methyl propionate 901.45
    isopentyl acetate 769.24
    trichloroethylene 3702.76
    n-nonanol 131.22
    cyclohexanol 555.61
    benzyl alcohol 470.38
    2-ethylhexanol 262.68
    isooctanol 144.12
    dipropyl ether 396.1
    1,2-dichlorobenzene 1008.46
    ethyl lactate 207.46
    propylene carbonate 971.76
    n-methylformamide 874.87
    2-pentanol 375.46
    n-pentane 90.1
    1-propoxy-2-propanol 575.48
    1-methoxy-2-propyl acetate 827.69
    2-(2-methoxypropoxy) propanol 463.34
    mesitylene 267.98
    ε-caprolactone 1337.32
    p-cymene 181.01
    epichlorohydrin 2361.59
    1,1,1-trichloroethane 2031.28
    2-aminoethanol 240.3
    morpholine-4-carbaldehyde 1311.77
    sulfolane 2163.73
    2,2,4-trimethylpentane 45.55
    2-methyltetrahydrofuran 1752.82
    n-hexyl acetate 581.01
    isooctane 41.16
    2-(2-butoxyethoxy)ethanol 680.15
    sec-butyl acetate 461.85
    tert-butyl acetate 699.01
    decalin 81.62
    glycerin 181.53
    diglyme 1371.86
    acrylic acid 538.97
    isopropyl myristate 175.79
    n-butyric acid 893.67
    acetyl acetate 621.72
    di(2-ethylhexyl) phthalate 182.81
    ethyl propionate 596.99
    nitromethane 1578.33
    1,2-diethoxyethane 1109.78
    benzonitrile 884.43
    trioctyl phosphate 114.63
    1-bromopropane 1017.63
    gamma-valerolactone 2091.93
    n-decanol 89.33
    triethyl phosphate 214.24
    4-methyl-2-pentanol 212.65
    propionitrile 885.11
    vinylene carbonate 878.26
    1,1,2-trichlorotrifluoroethane 1177.6
    DMS 555.86
    cumene 189.4
    2-octanol 105.57
    2-hexanone 798.74
    octyl acetate 219.29
    limonene 248.75
    1,2-dimethoxyethane 977.37
    ethyl orthosilicate 220.12
    tributyl phosphate 183.99
    diacetone alcohol 645.62
    N,N-dimethylaniline 375.79
    acrylonitrile 1116.52
    aniline 924.27
    1,3-propanediol 386.93
    bromobenzene 1271.94
    dibromomethane 1935.37
    1,1,2,2-tetrachloroethane 2443.61
    2-methyl-cyclohexyl acetate 377.08
    tetrabutyl urea 203.14
    diisobutyl methanol 166.49
    2-phenylethanol 471.3
    styrene 498.21
    dioctyl adipate 288.99
    dimethyl sulfate 516.59
    ethyl butyrate 569.66
    methyl lactate 281.98
    butyl lactate 332.36
    diethyl carbonate 343.79
    propanediol butyl ether 381.16
    triethyl orthoformate 363.82
    p-tert-butyltoluene 171.55
    methyl 4-tert-butylbenzoate 398.97
    morpholine 1755.8
    tert-butylamine 414.29
    n-dodecanol 62.24
    dimethoxymethane 756.44
    ethylene carbonate 707.28
    cyrene 366.16
    2-ethoxyethyl acetate 774.92
    2-ethylhexyl acetate 606.48
    1,2,4-trichlorobenzene 1174.13
    4-methylpyridine 1668.85
    dibutyl ether 317.73
    2,6-dimethyl-4-heptanol 166.49
    DEF 1045.26
    dimethyl isosorbide 834.44
    tetrachloroethylene 1741.63
    eugenol 377.2
    triacetin 541.99
    span 80 350.57
    1,4-butanediol 133.0
    1,1-dichloroethane 1930.78
    2-methyl-1-pentanol 349.92
    methyl formate 580.51
    2-methyl-1-butanol 460.34
    n-decane 16.16
    butyronitrile 852.56
    3,7-dimethyl-1-octanol 208.49
    1-chlorooctane 134.96
    1-chlorotetradecane 37.57
    n-nonane 16.63
    undecane 10.65
    tert-butylcyclohexane 69.43
    cyclooctane 55.46
    cyclopentanol 572.01
    tetrahydropyran 1678.15
    tert-amyl methyl ether 502.52
    2,5,8-trioxanonane 795.14
    1-hexene 362.39
    2-isopropoxyethanol 384.11
    2,2,2-trifluoroethanol 242.96
    methyl butyrate 808.63

    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

Botanical

Name CAS Botanical Proportion
Cumin (Egypt) 1 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 2.5%
Cumin (Turkey) 1 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.4%
Cumin (Turkey) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.4%
Cumin (Turkey) 3 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.37%
Cumin (Turkey) 4 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.46%
Cumin (Turkey) 5 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 2.1%
Cumin (Turkey) 6 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.93%
Cumin (Egypt) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.7%
Cumin (India) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.58%
Cumin (Egypt) 4 8014-30-9 Cuminum cyminum L., Fam. Apiaceae (Umbelliferae) 3.83%
Cumin (Iran) 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 1.55%