Cuminaldehyde

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  • Identifiers

    CAS number
    122-03-2

    Molecular formula
    C10H12O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1245.14
    • Carbowax: 1774.29

  • Odor profile

    Herbal 80.43%
    Green 78.65%
    Spicy 77.5%
    Woody 51.67%
    Phenolic 38.97%
    Leafy 35.83%
    Cortex 35.54%
    Fresh 34.61%
    Medicinal 32.84%
    Pungent 32.35%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.19 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 235.5 °C

    Flash point est.
    95.32 ˚C

    Solubility expt.

    • 282 mg/L @ 20 °C (exp)
    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-isopropylbenzaldehyde
    • cuminaldehyde
    • 122-03-2
    • cuminic aldehyde
    • cumaldehyde
    • cuminal
    • p-cumic aldehyde
    • Cumic aldehyde
    • Benzaldehyde, 4-(1-methylethyl)-
    • Cuminyl aldehyde
    • P-ISOPROPYLBENZALDEHYDE
    • p-Isopropylbenzenecarboxaldehyde
    • 4-(1-Methylethyl)benzaldehyde
    • Benzaldehyde, p-isopropyl-
    • p-Cuminic aldehyde
    • P-isopropyl benzaldehyde
    • 4-(Propan-2-Yl)Benzaldehyde
    • 4-propan-2-ylbenzaldehyde
    • 4-Isopropylbenzenecarboxylate
    • FEMA No. 2341
    • NSC 4886
    • MFCD00006953
    • 4-Isopropyl-benzaldehyde
    • EINECS 204-516-9
    • UNII-O0893NC35F
    • BRN 0636547
    • DTXSID9021974
    • CHEBI:28671
    • 4-i-propylbenzaldehyde
    • AI3-01853
    • O0893NC35F
    • p-isopropyl-Benzaldehyde
    • NSC-4886
    • CHEMBL161577
    • DTXCID601974
    • EC 204-516-9
    • 4-07-00-00723 (Beilstein Handbook Reference)
    • Cuminadlehyde
    • Cuminaldehyd
    • Cumal
    • Cumin aldehyde
    • 4-iPr-Benzaldehyde
    • 4isopropylbenzaldehyde
    • Cuminaldehyde, 98%
    • p-iso-Propylbenzaldehyde
    • 4(isopropyl)benzaldehyde
    • 4-isopropyl benzaldehyde
    • Cuminaldehyde (Standard)
    • 4-(isopropyl)benzaldehyde
    • p-Isopropylbenzaldehyde, f
    • 4(2-propyl)-benzaldehyde
    • CUMINALDEHYDE [MI]
    • bmse000508
    • CUMINALDEHYDE [FHFI]
    • SCHEMBL87226
    • p-(1-methylethyl)benzaldehyde
    • 4-Isopropylphenylcarboxaldehyde
    • CUMINIC ALDEHYDE [FCC]
    • (4-isopropyl-phenyl)-methanone
    • WLN: VHR DY1 & 1
    • HY-Y0790R
    • NSC4886
    • Cuminaldehyde, analytical standard
    • HY-Y0790
    • Cuminaldehyde, >=98%, FCC, FG
    • Tox21_300712
    • BDBM50139366
    • s5089
    • STL194065
    • AKOS000119738
    • AC-2430
    • CCG-266191
    • Cuminal p-(1-methylethyl)benzaldehyde
    • FI29085
    • NCGC00248148-01
    • NCGC00257518-01
    • AS-12957
    • CAS-122-03-2
    • DB-041645
    • CS-0015770
    • I0168
    • NS00004437
    • EN300-19901
    • C06577
    • D70801
    • Q419952
    • doi:10.14272/WTWBUQJHJGUZCY-UHFFFAOYSA-N.1
    • F2190-0632
    • Z104476006
    • InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H
    • 204-516-9

  • Applications

    Cuminaldehyde (CAS 122-03-2) is the major aroma compound of cumin seed and finds extensive use in food industries to impart a warm, spicy note to confectionery, beverages, sauces and liqueurs; in flavor and fragrance formulation for oriental perfumes, soaps, scented candles and personal-care products; in pharmaceuticals as an intermediate for anti-inflammatory, antimicrobial, antidiabetic, lipid-modulating and antioxidant agents; in agriculture as a semi-natural insect repellent, antifungal seed protectant and grain preservative; it is also employed as a reference standard in analytical chemistry, a fragrance additive in polymers, and a versatile starting material in organic synthesis owing to its reactive formyl group.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 593.88
    methanol 506.43
    isopropanol 328.28
    water 0.33
    ethyl acetate 1833.36
    n-propanol 513.91
    acetone 1853.78
    n-butanol 398.32
    acetonitrile 1506.47
    DMF 2014.44
    toluene 651.82
    isobutanol 302.33
    1,4-dioxane 1441.98
    methyl acetate 1452.24
    THF 2110.25
    2-butanone 1745.22
    n-pentanol 298.87
    sec-butanol 336.94
    n-hexane 62.88
    ethylene glycol 92.98
    NMP 2640.13
    cyclohexane 80.06
    DMSO 2359.44
    n-butyl acetate 1140.07
    n-octanol 97.74
    chloroform 2658.93
    n-propyl acetate 967.18
    acetic acid 635.92
    dichloromethane 3659.89
    cyclohexanone 1826.33
    propylene glycol 140.25
    isopropyl acetate 755.88
    DMAc 1369.96
    2-ethoxyethanol 612.98
    isopentanol 356.59
    n-heptane 25.35
    ethyl formate 814.04
    1,2-dichloroethane 3257.89
    n-hexanol 340.53
    2-methoxyethanol 946.88
    isobutyl acetate 397.78
    tetrachloromethane 419.81
    n-pentyl acetate 358.71
    transcutol 3590.97
    n-heptanol 114.1
    ethylbenzene 312.76
    MIBK 558.15
    2-propoxyethanol 758.61
    tert-butanol 420.91
    MTBE 685.62
    2-butoxyethanol 327.14
    propionic acid 668.33
    o-xylene 333.35
    formic acid 265.73
    diethyl ether 1063.11
    m-xylene 370.55
    p-xylene 361.88
    chlorobenzene 1281.86
    dimethyl carbonate 507.33
    n-octane 6.94
    formamide 874.89
    cyclopentanone 2746.45
    2-pentanone 1289.63
    anisole 911.96
    cyclopentyl methyl ether 1140.0
    gamma-butyrolactone 3182.42
    1-methoxy-2-propanol 662.63
    pyridine 2007.09
    3-pentanone 1128.05
    furfural 2492.99
    n-dodecane 3.63
    diethylene glycol 438.85
    diisopropyl ether 228.56
    tert-amyl alcohol 413.41
    acetylacetone 1408.99
    n-hexadecane 4.68
    acetophenone 808.42
    methyl propionate 1363.84
    isopentyl acetate 786.78
    trichloroethylene 5335.65
    n-nonanol 83.98
    cyclohexanol 391.9
    benzyl alcohol 502.35
    2-ethylhexanol 225.36
    isooctanol 95.46
    dipropyl ether 386.26
    1,2-dichlorobenzene 1133.5
    ethyl lactate 257.72
    propylene carbonate 1364.2
    n-methylformamide 1570.11
    2-pentanol 272.15
    n-pentane 42.74
    1-propoxy-2-propanol 544.29
    1-methoxy-2-propyl acetate 1006.18
    2-(2-methoxypropoxy) propanol 403.39
    mesitylene 198.75
    ε-caprolactone 1635.61
    p-cymene 147.93
    epichlorohydrin 3878.34
    1,1,1-trichloroethane 2067.2
    2-aminoethanol 263.24
    morpholine-4-carbaldehyde 1991.61
    sulfolane 3268.65
    2,2,4-trimethylpentane 26.43
    2-methyltetrahydrofuran 1959.85
    n-hexyl acetate 482.43
    isooctane 21.19
    2-(2-butoxyethoxy)ethanol 574.33
    sec-butyl acetate 544.76
    tert-butyl acetate 735.26
    decalin 50.56
    glycerin 189.44
    diglyme 1360.54
    acrylic acid 615.68
    isopropyl myristate 130.95
    n-butyric acid 783.38
    acetyl acetate 717.53
    di(2-ethylhexyl) phthalate 136.93
    ethyl propionate 877.94
    nitromethane 2624.59
    1,2-diethoxyethane 1031.4
    benzonitrile 902.2
    trioctyl phosphate 86.18
    1-bromopropane 1041.71
    gamma-valerolactone 2851.67
    n-decanol 54.52
    triethyl phosphate 237.32
    4-methyl-2-pentanol 152.34
    propionitrile 889.64
    vinylene carbonate 1130.3
    1,1,2-trichlorotrifluoroethane 1604.21
    DMS 637.07
    cumene 171.24
    2-octanol 66.59
    2-hexanone 914.57
    octyl acetate 171.72
    limonene 216.8
    1,2-dimethoxyethane 1199.09
    ethyl orthosilicate 227.33
    tributyl phosphate 156.2
    diacetone alcohol 715.8
    N,N-dimethylaniline 450.12
    acrylonitrile 1378.04
    aniline 900.12
    1,3-propanediol 340.84
    bromobenzene 1273.85
    dibromomethane 2090.46
    1,1,2,2-tetrachloroethane 3365.83
    2-methyl-cyclohexyl acetate 397.17
    tetrabutyl urea 181.14
    diisobutyl methanol 126.2
    2-phenylethanol 469.51
    styrene 490.29
    dioctyl adipate 242.39
    dimethyl sulfate 883.32
    ethyl butyrate 680.43
    methyl lactate 365.65
    butyl lactate 272.69
    diethyl carbonate 431.22
    propanediol butyl ether 296.18
    triethyl orthoformate 376.88
    p-tert-butyltoluene 137.3
    methyl 4-tert-butylbenzoate 336.04
    morpholine 1935.49
    tert-butylamine 269.54
    n-dodecanol 37.87
    dimethoxymethane 1099.64
    ethylene carbonate 847.32
    cyrene 433.72
    2-ethoxyethyl acetate 716.28
    2-ethylhexyl acetate 645.92
    1,2,4-trichlorobenzene 1344.5
    4-methylpyridine 2013.44
    dibutyl ether 247.27
    2,6-dimethyl-4-heptanol 126.2
    DEF 1646.34
    dimethyl isosorbide 880.99
    tetrachloroethylene 1986.79
    eugenol 337.51
    triacetin 465.52
    span 80 267.49
    1,4-butanediol 137.42
    1,1-dichloroethane 2167.76
    2-methyl-1-pentanol 310.78
    methyl formate 980.37
    2-methyl-1-butanol 356.2
    n-decane 7.74
    butyronitrile 786.2
    3,7-dimethyl-1-octanol 137.0
    1-chlorooctane 91.8
    1-chlorotetradecane 23.5
    n-nonane 7.89
    undecane 5.12
    tert-butylcyclohexane 47.25
    cyclooctane 26.3
    cyclopentanol 467.23
    tetrahydropyran 1423.02
    tert-amyl methyl ether 498.78
    2,5,8-trioxanonane 750.03
    1-hexene 289.23
    2-isopropoxyethanol 408.99
    2,2,2-trifluoroethanol 282.29
    methyl butyrate 1136.28

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.085 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.96 %
Category 2
Products applied to the axillae
 0.025 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.96 %
Category 3
Products applied to the face/body using fingertips
 0.51 % Category 8
Products with significant anogenital exposure
 0.05 %
Category 4
Products related to fine fragrance
 0.47 % Category 9
Products with body and hand exposure, primarily rinse off
 0.92 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.12 % Category 10A
Household care products with mostly hand contact
 3.3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.12 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3.3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.12 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 1.8 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.12 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 1.8 %
Category 6
Products with oral and lip exposure
 0.28 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Achillea wilhelmsii (Egypt) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 0.07%
Armoise flower 8008-93-3 Artemisia vulgaris L., fam. Asteraceae (Compositae) 0.08%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.31%
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.3%
Bunium cylidricum seed Bunium cylindricum Boiss & Hoh and Drude, fam. Apiaceae (Umbelliferae) 2.1%
Camphor (Japan) 8008-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 0.15%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.17%
Cassia, branch & leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.35%
Cassia, leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.09%
Cumin (Egypt) 1 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 20.0%
Hortensis leaf Euodia hortensis forma hortensis, fam. Saxifragaceae (Hydrangea) 0.1%
Cumin (Pakistan) 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 21.2%
Marjoram, sweet (Egypt) 1 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.1%
Marjoram, sweet (France) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.1%
Marjoram, sweet (Germany) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.05%
Marjoram, sweet (Hungary) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.05%
Marjoram, sweet (Portugal) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.05%
Marjoram, sweet (Rumania) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.05%
Marjoram, sweet (Tunisia) 1 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.05%
Satsuma mandarin peel 1 Citrus unshiu Marcovitch, fam. Rutaceae 0.01%
Orange leaf, sweet (North Africa) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.6%
Orange leaf, sweet (North Africa) 4 Citrus sinensis (L.) Osbeck, cultivar Washington navel, fam. Rutaceae 0.42%
Oregano, greek (European) 84012-24-8 Origanum vulgare L. ssp. vulgare, fam. Lamiaceae (Labiatae) 0.1%
Pteronia incana 2 Pteronia incana, fam. Asteraceae (Compositae) 0.5%
Yarrow 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.11%
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.08%
Calamintha nepeta (Turkey) 1 Calamintha nepeta (L.) Savi ssp. glandulosa (Req.) P.W.Ball, fam.Lamiaceae 0.01%
Ziziphora clinopodioides (Turkey) 1 Ziziphora clinopodioides Lam., fam. Lamiaceae (Labiatae) 0.01%
Vitex agnus-castus leaf (Finland) Vitex agnus-castus L., fam. Verbenaceae 0.1%
Sphaeranthus suaveolens (Egypt) Sphaeranthus suaveolens DC., fam. Asteraceae (Compositae) 0.01%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.04%
Artemisia persica (India) Artemisia persica Boiss., fam. Asteraceae (Compositae) 1.4%
Santolina chamaecyparisus (France) 3 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.15%
Cumin (Turkey) 1 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 22.55%
Cumin (Turkey) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 22.9%
Cumin (Turkey) 3 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 25.93%
Cumin (Turkey) 4 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 23.76%
Cumin (Turkey) 5 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 24.2%
Cumin (Turkey) 6 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 40.07%
Cumin (Egypt) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 19.86%
Cumin (India) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 25.5%
Cumin (India) 1 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 27.72%
Santolina chamaecyparisus (Spain) 84961-58-0 Santolina chamaecyparisus L., ssp. squarrosa DC., fam. Asteraceae 0.07%
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.26%
Pistacia lentiscus fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.1%
Annual wormwood (Yugoslavia) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.3%
Mandarin (Italy) 5 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.13%
Achillea biebersteinii (Turkey) 1 Achillea biebersteinii Afan., fam. Asteraceae (Compositae) 0.01%