alpha-METHYLCINNAMALDEHYDE

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  • Identifiers

    CAS number
    101-39-3

    Molecular formula
    C10H10O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1992.0

  • Odor profile

    Sweet 79.94%
    Spicy 77.75%
    Cinnamon 72.61%
    Balsamic 59.8%
    Floral 57.02%
    Warm 50.12%
    Cherry 45.48%
    Powdery 44.6%
    Almond 42.69%
    Herbal 41.48%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 302 °F at 100 mmHg (NTP, 1992)

    Flash point est.
    100.69 ˚C

    Flash point expt.

    • 175 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • insoluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • 15174-47-7
    • ALPHA-METHYLCINNAMALDEHYDE
    • 101-39-3
    • alpha-Methylcinnamylaldehyde
    • 2-Propenal, 2-methyl-3-phenyl-
    • (E)-2-METHYL-3-PHENYLACRYLALDEHYDE
    • 2-Methyl-3-phenylacrylaldehyde
    • (E)-2-methyl-3-phenylprop-2-enal
    • 2-Methyl-3-phenylacrolein
    • alpha-Methyl-trans-cinnamaldehyde
    • 2-methyl-3-phenylprop-2-enal
    • (E)-2-Methyl-3-phenylpropenal
    • alpha-Methylcinnimal
    • 2-Methyl-3-phenyl-2-propenal
    • Cinnamaldehyde, alpha-methyl
    • FEMA No. 2697
    • (2E)-2-Methyl-3-phenyl-2-propenal
    • (E)-Alpha-Methylcinnamaldehyde
    • (E)-2-Methyl-3-phenylacrolein
    • Cinnamaldehyde, .alpha.-methyl-
    • 2-Methyl-3-phenyl-2-propen-1-al
    • .alpha.-Methylcinnamaldehyde
    • alpha-Methylcinnamic aldehyde
    • trans-2-Methyl-3-phenyl-2-propenal
    • NSC 22283
    • a-Methylcinnamaldehyde
    • Cinnamaldehyde, alpha-methyl-
    • CCRIS 6257
    • trans-Alpha-Methylcinnamaldehyde
    • alpha-Methyl-trans-cinnamaldeyhde
    • alpha-Methylcinnamaldehyde [FHFI]
    • EINECS 202-938-8
    • MFCD00006976
    • NSC-22283
    • NSC-49286
    • (2E)-2-methyl-3-phenylprop-2-enal
    • BRN 0507514
    • Methyl cinnamic aldehyde
    • AI3-26230
    • 1C647N9853
    • EC 202-938-8
    • DTXSID401018359
    • 2-07-00-00291 (Beilstein Handbook Reference)
    • ALPHA-METHYLCINNAMALDEHYDE [FCC]
    • (E)-.ALPHA.-METHYLCINNAMALDEHYDE
    • TRANS-.ALPHA.-METHYLCINNAMALDEHYDE
    • .ALPHA.-METHYL-TRANS-CINNAMALDEYHDE
    • .ALPHA.-METHYLCINNAMALDEHYDE [FHFI]
    • NSC 49286
    • .alpha.-Methylcinnimal
    • 2-methylcinnamic aldehyde
    • Z-alpha-Methylcinnamaldehyde
    • .alpha.-Methylcinnamic aldehyde
    • DTXSID4025587
    • 4-oxo-2-mercapto-thiazole-3-acetica acid
    • (2Z)-2-methyl-3-phenylprop-2-enal
    • 2-METHYL-3-PHENYLPROPENAL
    • UNII-1C647N9853
    • 3-Phenylmethacrolein
    • ?-Methylcinnamic aldehyde
    • ALPHA-METHYCINNAMAL
    • 3-phenyl-2-methylpropenal
    • alpha-Methylcinnamyl aldehyde
    • a-methyl-trans-cinnamaldehyde
    • alpha-methyl-E-cinnamaldehyde
    • SCHEMBL186778
    • |A-Methyl-trans-cinnamaldehyde
    • DTXCID705587
    • DTXCID20911548
    • (E)-2-Methyl-3-phenyl-propenal
    • alpha -Methyl-trans-cinnamaldehyde
    • Cinnamic aldehyde, .alpha.-methyl
    • AAA10139
    • BCP24559
    • QAA17447
    • Tox21_200051
    • BBL012658
    • STL163654
    • (E)-2-methyl-3-phenyl-prop-2-enal
    • 2-Methyl-3-phenyl-trans-prop-2-enal
    • AKOS000119680
    • AKOS025149199
    • CS-W016354
    • alpha-Methyl-trans-cinnamaldehyde, 98%
    • NCGC00091690-02
    • NCGC00257605-01
    • AS-35370
    • CAS-101-39-3
    • LS-13760
    • 2-Propenal, 2-methyl-3-phenyl-, (2E)-
    • M0584
    • alpha-Methylcinnamaldehyde, >=97%, FCC, FG
    • EN300-20034
    • EN300-736639
    • Q27252223
    • | inverted exclamation mark-Methyl-Trans-Cinnamaldehyde
    • F2191-0168
    • Z3219847417
    • 202-938-8

  • Applications

    Alpha-methylcinnamaldehyde (alpha-METHYLCINNAMALDEHYDE, CAS 101-39-3) is a warm, spicy-sweet, cinnamon-like aromatic aldehyde with balsamic nuances, widely used as a fragrance ingredient in fine fragrances and personal care, soaps, detergents, fabric softeners, dishwashing liquids, candles, wax melts, reed diffusers, and air care sprays, where it acts as a booster and blender for spicy, gourmand, oriental, and woody/amber accords and as an odor masker in technical bases; in perfumery it is often chosen to deliver a warm cinnamon facet with good stability across many formulation matrices; at very low levels and subject to applicable regulations, it can also serve as a flavoring note to impart warm, sweet nuances; chemically, it functions as an organic building block and intermediate for cinnamyl derivatives, coumarins, and other fine chemicals (via reduction to alcohols, Schiff-base formation, oxidation, and coupling), enabling the synthesis of specialty fragrance ingredients, pharmaceuticals, and agrochemicals; applications should comply with safety limits/IFRA and labeling due to skin-sensitization potential, with stability and matrix compatibility verified case by case.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1198.76
    methanol 894.07
    isopropanol 913.23
    water 1.37
    ethyl acetate 2384.48
    n-propanol 891.91
    acetone 3331.59
    n-butanol 797.13
    acetonitrile 3020.25
    DMF 2676.5
    toluene 1042.94
    isobutanol 639.77
    1,4-dioxane 1835.43
    methyl acetate 2334.68
    THF 2055.78
    2-butanone 2527.29
    n-pentanol 515.77
    sec-butanol 772.09
    n-hexane 110.58
    ethylene glycol 211.62
    NMP 1568.84
    cyclohexane 130.11
    DMSO 2419.45
    n-butyl acetate 1506.39
    n-octanol 346.08
    chloroform 3527.09
    n-propyl acetate 1190.4
    acetic acid 890.02
    dichloromethane 4784.71
    cyclohexanone 2118.24
    propylene glycol 280.45
    isopropyl acetate 872.37
    DMAc 1366.52
    2-ethoxyethanol 728.8
    isopentanol 654.7
    n-heptane 118.97
    ethyl formate 1503.34
    1,2-dichloroethane 2984.65
    n-hexanol 662.84
    2-methoxyethanol 1215.15
    isobutyl acetate 548.27
    tetrachloromethane 449.53
    n-pentyl acetate 522.07
    transcutol 3119.76
    n-heptanol 272.3
    ethylbenzene 511.26
    MIBK 736.85
    2-propoxyethanol 881.69
    tert-butanol 840.88
    MTBE 870.74
    2-butoxyethanol 472.32
    propionic acid 1053.17
    o-xylene 494.8
    formic acid 250.88
    diethyl ether 1379.12
    m-xylene 569.19
    p-xylene 537.32
    chlorobenzene 1115.24
    dimethyl carbonate 686.61
    n-octane 43.54
    formamide 749.73
    cyclopentanone 2524.44
    2-pentanone 1910.69
    anisole 969.16
    cyclopentyl methyl ether 1079.23
    gamma-butyrolactone 2693.2
    1-methoxy-2-propanol 920.33
    pyridine 2085.98
    3-pentanone 1399.93
    furfural 1931.39
    n-dodecane 31.59
    diethylene glycol 512.18
    diisopropyl ether 298.65
    tert-amyl alcohol 681.42
    acetylacetone 1520.23
    n-hexadecane 36.89
    acetophenone 851.05
    methyl propionate 1723.49
    isopentyl acetate 970.29
    trichloroethylene 5139.3
    n-nonanol 269.58
    cyclohexanol 607.78
    benzyl alcohol 553.27
    2-ethylhexanol 435.55
    isooctanol 220.17
    dipropyl ether 747.04
    1,2-dichlorobenzene 909.47
    ethyl lactate 336.77
    propylene carbonate 1406.05
    n-methylformamide 1648.05
    2-pentanol 613.91
    n-pentane 103.32
    1-propoxy-2-propanol 714.36
    1-methoxy-2-propyl acetate 812.15
    2-(2-methoxypropoxy) propanol 463.34
    mesitylene 284.18
    ε-caprolactone 1628.4
    p-cymene 252.22
    epichlorohydrin 3038.63
    1,1,1-trichloroethane 2274.16
    2-aminoethanol 406.0
    morpholine-4-carbaldehyde 1484.4
    sulfolane 2304.79
    2,2,4-trimethylpentane 51.39
    2-methyltetrahydrofuran 1727.24
    n-hexyl acetate 777.09
    isooctane 45.61
    2-(2-butoxyethoxy)ethanol 664.58
    sec-butyl acetate 645.21
    tert-butyl acetate 697.72
    decalin 89.92
    glycerin 313.91
    diglyme 1458.84
    acrylic acid 859.67
    isopropyl myristate 256.37
    n-butyric acid 1283.11
    acetyl acetate 873.86
    di(2-ethylhexyl) phthalate 198.49
    ethyl propionate 976.24
    nitromethane 2907.21
    1,2-diethoxyethane 1091.79
    benzonitrile 1072.36
    trioctyl phosphate 152.99
    1-bromopropane 1474.4
    gamma-valerolactone 2211.44
    n-decanol 195.46
    triethyl phosphate 254.29
    4-methyl-2-pentanol 283.51
    propionitrile 1669.26
    vinylene carbonate 1230.87
    1,1,2-trichlorotrifluoroethane 1247.64
    DMS 692.58
    cumene 276.91
    2-octanol 194.91
    2-hexanone 1145.98
    octyl acetate 329.27
    limonene 367.41
    1,2-dimethoxyethane 1467.46
    ethyl orthosilicate 238.62
    tributyl phosphate 217.4
    diacetone alcohol 728.87
    N,N-dimethylaniline 498.74
    acrylonitrile 2012.46
    aniline 888.64
    1,3-propanediol 606.25
    bromobenzene 1256.73
    dibromomethane 2904.77
    1,1,2,2-tetrachloroethane 2948.46
    2-methyl-cyclohexyl acetate 444.53
    tetrabutyl urea 293.37
    diisobutyl methanol 236.89
    2-phenylethanol 507.13
    styrene 674.55
    dioctyl adipate 363.58
    dimethyl sulfate 840.74
    ethyl butyrate 972.53
    methyl lactate 432.32
    butyl lactate 356.11
    diethyl carbonate 549.58
    propanediol butyl ether 484.98
    triethyl orthoformate 430.78
    p-tert-butyltoluene 221.12
    methyl 4-tert-butylbenzoate 443.8
    morpholine 1927.26
    tert-butylamine 531.0
    n-dodecanol 145.51
    dimethoxymethane 1439.35
    ethylene carbonate 1001.8
    cyrene 389.89
    2-ethoxyethyl acetate 740.99
    2-ethylhexyl acetate 731.07
    1,2,4-trichlorobenzene 967.42
    4-methylpyridine 2000.82
    dibutyl ether 558.36
    2,6-dimethyl-4-heptanol 236.89
    DEF 1646.99
    dimethyl isosorbide 792.88
    tetrachloroethylene 1798.59
    eugenol 435.0
    triacetin 644.67
    span 80 358.85
    1,4-butanediol 232.83
    1,1-dichloroethane 2962.46
    2-methyl-1-pentanol 442.3
    methyl formate 1428.72
    2-methyl-1-butanol 620.62
    n-decane 57.89
    butyronitrile 1547.36
    3,7-dimethyl-1-octanol 318.07
    1-chlorooctane 297.57
    1-chlorotetradecane 98.73
    n-nonane 61.44
    undecane 41.65
    tert-butylcyclohexane 84.6
    cyclooctane 54.68
    cyclopentanol 668.81
    tetrahydropyran 1797.8
    tert-amyl methyl ether 604.25
    2,5,8-trioxanonane 788.02
    1-hexene 481.25
    2-isopropoxyethanol 516.95
    2,2,2-trifluoroethanol 347.29
    methyl butyrate 1347.3

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.27 % Category 7A
Rinse-off products applied to the hair with some hand contact
 3.1 %
Category 2
Products applied to the axillae
 0.08 % Category 7B
Leave-on products applied to the hair with some hand contact
 3.1 %
Category 3
Products applied to the face/body using fingertips
 1.6 % Category 8
Products with significant anogenital exposure
 0.16 %
Category 4
Products related to fine fragrance
 1.5 % Category 9
Products with body and hand exposure, primarily rinse off
 2.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.38 % Category 10A
Household care products with mostly hand contact
 11 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.38 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 11 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.38 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 5.8 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.38 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 5.8 %
Category 6
Products with oral and lip exposure
 0.88 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Amomum tsao-ko (China) 1 Amomum tsao-ko Crevost et Lemarie, fam. Zingiberaceae 2.2%
Amomum tsao-ko (Vietnam) Amomum tsao-ko Crevost et Lemarie, fam. Zingiberaceae 2.8%
Amomum tsao-ko (China) 2 Amomum tsao-ko Crevost et Lemiare, fam. Zingiberaceae 2.04%
Alpinia laosensis (Vietnam) Alpinia laosensis Gagnep., fam. Zingiberaceae 0%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%