Veratraldehyde

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  • Identifiers

    CAS number
    120-14-9

    Molecular formula
    C9H10O3

    SMILES
    COC1=C(C=C(C=C1)C=O)OC

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1489.0
    • Carbowax: 2409.0

  • Odor profile

    Sweet 89.85%
    Vanilla 78.99%
    Floral 67.46%
    Spicy 58.42%
    Powdery 55.38%
    Woody 53.26%
    Creamy 49.97%
    Anisic 49.91%
    Herbal 44.36%
    Balsamic 42.72%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 108 to 109 °F (NTP, 1992)
    • 58 °C

    Boiling point

    • 538 °F at 760 mmHg (NTP, 1992)
    • 281.00 °C. @ 760.00 mm Hg

    Flash point est.
    111.47 ˚C

    Flash point expt.

    • greater than 230 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • 6.32 mg/mL at 25 °C
    • insoluble in cold water; soluble in hot water oils
    • soluble (in ethanol)

  • Synonyms

    • 3,4-Dimethoxybenzaldehyde
    • VERATRALDEHYDE
    • 120-14-9
    • Veratric aldehyde
    • Methylvanillin
    • Benzaldehyde, 3,4-dimethoxy-
    • Vanillin methyl ether
    • Veratral
    • 4-O-Methylvanillin
    • Veratrum aldehyde
    • Veratryl aldehyde
    • p-Veratric aldehyde
    • 3,4-Dimethoxy benzaldehyde
    • 3,4-Dimethoxybenzenecarbonal
    • Protocatechualdehyde dimethyl ether
    • Protocatechuic aldehyde dimethyl ether
    • 3,4-DIMETHOXY-BENZALDEHYDE
    • MFCD00003363
    • Protocatechuecaldehyde dimethyl ether
    • NSC 24521
    • FEMA No. 3109
    • CCRIS 6285
    • UNII-UI88P68JZD
    • EINECS 204-373-2
    • UI88P68JZD
    • BRN 0473899
    • DTXSID7026285
    • CHEBI:17098
    • AI3-08099
    • NSC-8500
    • NSC-24521
    • VERATRALDEHYDE [MI]
    • 3, 4-Dimethoxybenzaldehyde
    • VERATRALDEHYDE [FCC]
    • VERATRALDEHYDE [FHFI]
    • DTXCID406285
    • Benzaldehyde,4-dimethoxy-
    • WLN: VHR CO1 DO1
    • VERAPAMIL HYDROCHLORIDE IMPURITY G [EP IMPURITY]
    • Methyl vanillin
    • CAS-120-14-9
    • VERAPAMIL HYDROCHLORIDE IMPURITY G (EP IMPURITY)
    • veratrumald
    • ratryl aldehyde
    • Veratrumaldehyde
    • FEMA 3109
    • 3,4-dimethoxy
    • 3,4dimethoxybenzaldehyde
    • 3,4-dimethoxybenzaldehyde (veratraldehyde)
    • 3,4-dimethoxybenzaldeyde
    • 3,4 dimethoxybenzaldehyde
    • 3,4-dimethoxybenzaidehyde
    • 4,3-dimethoxybenzaldehyde
    • 4,5-dimethoxybenzaldehyde
    • 40-METHYLVANILLIN
    • bmse010220
    • SCHEMBL25202
    • Veratraldehyde, >=98%, FG
    • CHEMBL1088937
    • MSK3363
    • NSC8500
    • 3,4-Dimethoxybenzaldehyde, 99%
    • HY-N1096
    • NSC24521
    • Tox21_201566
    • Tox21_303074
    • BBL010373
    • s3214
    • STK188425
    • AKOS000118989
    • CS-W019906
    • Dimethoxy-Benzaldehyde-O-Methylvanillin
    • FD54842
    • NCGC00091642-01
    • NCGC00091642-02
    • NCGC00091642-03
    • NCGC00257217-01
    • NCGC00259115-01
    • AC-10201
    • AC-34441
    • AS-11996
    • SY004136
    • Benzaldehyde, 3,4-dimethoxy-veratraldehyde
    • Veratraldehyde (3,4-Dimethoxybenzaldehyde)
    • DB-014213
    • D0507
    • NS00013328
    • EN300-16145
    • C02201
    • AH-034/32845024
    • Q414395
    • Z53837671
    • F2190-0618
    • 204-373-2

  • Applications

    Veratraldehyde (3,4-dimethoxybenzaldehyde, CAS 120-14-9) is a sweet, warm-smelling aromatic aldehyde widely employed in the flavor and fragrance industries to impart vanilla, chocolate, coconut, rum, coffee and woody notes to perfumes, soaps, detergents and foods, while also serving as a key intermediate in the synthesis of pharmaceuticals (notably L-DOPA precursors, antiarrhythmics, antihypertensives and semi-synthetic antibiotics), agrochemicals, optical brighteners, conducting polymers and dyes; it is additionally used as a tobacco flavoring, resin modifier, cosmetic deodorizer, corrosion inhibitor and probe molecule in organic and biochemical research, its methoxy-substituted benzaldehyde framework enabling facile oxidation, reduction, acetalization, cyclization and C-C coupling reactions that generate a wide array of value-added compounds.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 81.94
    methanol 119.65
    isopropanol 51.91
    water 2.37
    ethyl acetate 423.18
    n-propanol 55.82
    acetone 812.92
    n-butanol 41.51
    acetonitrile 806.33
    DMF 887.07
    toluene 66.6
    isobutanol 37.03
    1,4-dioxane 634.27
    methyl acetate 536.6
    THF 808.86
    2-butanone 397.01
    n-pentanol 43.87
    sec-butanol 47.96
    n-hexane 12.08
    ethylene glycol 78.27
    NMP 754.42
    cyclohexane 35.38
    DMSO 1789.16
    n-butyl acetate 301.55
    n-octanol 39.35
    chloroform 958.66
    n-propyl acetate 337.12
    acetic acid 425.8
    dichloromethane 1680.5
    cyclohexanone 550.9
    propylene glycol 34.41
    isopropyl acetate 197.03
    DMAc 524.02
    2-ethoxyethanol 247.45
    isopentanol 43.26
    n-heptane 15.75
    ethyl formate 389.6
    1,2-dichloroethane 1214.47
    n-hexanol 55.6
    2-methoxyethanol 323.92
    isobutyl acetate 126.35
    tetrachloromethane 199.24
    n-pentyl acetate 122.05
    transcutol 523.4
    n-heptanol 33.21
    ethylbenzene 71.42
    MIBK 135.09
    2-propoxyethanol 173.38
    tert-butanol 102.26
    MTBE 138.08
    2-butoxyethanol 98.56
    propionic acid 223.74
    o-xylene 81.01
    formic acid 243.72
    diethyl ether 203.57
    m-xylene 63.38
    p-xylene 100.25
    chlorobenzene 258.59
    dimethyl carbonate 263.98
    n-octane 6.92
    formamide 734.53
    cyclopentanone 899.2
    2-pentanone 264.61
    anisole 249.24
    cyclopentyl methyl ether 256.49
    gamma-butyrolactone 1341.61
    1-methoxy-2-propanol 165.46
    pyridine 484.35
    3-pentanone 257.17
    furfural 983.2
    n-dodecane 5.41
    diethylene glycol 191.53
    diisopropyl ether 55.2
    tert-amyl alcohol 84.53
    acetylacetone 496.38
    n-hexadecane 6.49
    acetophenone 283.78
    methyl propionate 357.23
    isopentyl acetate 192.18
    trichloroethylene 1873.32
    n-nonanol 35.04
    cyclohexanol 79.52
    benzyl alcohol 131.83
    2-ethylhexanol 53.21
    isooctanol 30.38
    dipropyl ether 109.16
    1,2-dichlorobenzene 332.54
    ethyl lactate 131.49
    propylene carbonate 567.92
    n-methylformamide 623.41
    2-pentanol 35.45
    n-pentane 9.5
    1-propoxy-2-propanol 120.98
    1-methoxy-2-propyl acetate 245.8
    2-(2-methoxypropoxy) propanol 120.6
    mesitylene 55.78
    ε-caprolactone 468.04
    p-cymene 56.68
    epichlorohydrin 1289.43
    1,1,1-trichloroethane 700.47
    2-aminoethanol 70.24
    morpholine-4-carbaldehyde 712.15
    sulfolane 1530.16
    2,2,4-trimethylpentane 8.4
    2-methyltetrahydrofuran 448.39
    n-hexyl acetate 151.91
    isooctane 6.08
    2-(2-butoxyethoxy)ethanol 140.07
    sec-butyl acetate 151.02
    tert-butyl acetate 212.75
    decalin 21.08
    glycerin 99.75
    diglyme 474.46
    acrylic acid 284.14
    isopropyl myristate 57.22
    n-butyric acid 204.91
    acetyl acetate 343.78
    di(2-ethylhexyl) phthalate 52.67
    ethyl propionate 259.31
    nitromethane 1863.95
    1,2-diethoxyethane 212.09
    benzonitrile 282.73
    trioctyl phosphate 41.18
    1-bromopropane 244.94
    gamma-valerolactone 890.49
    n-decanol 26.78
    triethyl phosphate 123.64
    4-methyl-2-pentanol 26.63
    propionitrile 297.54
    vinylene carbonate 563.55
    1,1,2-trichlorotrifluoroethane 628.23
    DMS 272.15
    cumene 53.85
    2-octanol 26.66
    2-hexanone 226.56
    octyl acetate 72.53
    limonene 78.23
    1,2-dimethoxyethane 562.42
    ethyl orthosilicate 97.16
    tributyl phosphate 62.43
    diacetone alcohol 193.2
    N,N-dimethylaniline 145.61
    acrylonitrile 558.1
    aniline 127.04
    1,3-propanediol 92.75
    bromobenzene 285.43
    dibromomethane 864.66
    1,1,2,2-tetrachloroethane 1060.54
    2-methyl-cyclohexyl acetate 142.95
    tetrabutyl urea 80.91
    diisobutyl methanol 37.3
    2-phenylethanol 119.87
    styrene 101.81
    dioctyl adipate 103.63
    dimethyl sulfate 540.24
    ethyl butyrate 227.88
    methyl lactate 152.58
    butyl lactate 84.32
    diethyl carbonate 195.6
    propanediol butyl ether 81.12
    triethyl orthoformate 139.33
    p-tert-butyltoluene 51.96
    methyl 4-tert-butylbenzoate 154.5
    morpholine 554.95
    tert-butylamine 51.41
    n-dodecanol 21.52
    dimethoxymethane 430.66
    ethylene carbonate 438.43
    cyrene 182.73
    2-ethoxyethyl acetate 209.92
    2-ethylhexyl acetate 159.78
    1,2,4-trichlorobenzene 366.7
    4-methylpyridine 337.61
    dibutyl ether 74.91
    2,6-dimethyl-4-heptanol 37.3
    DEF 369.39
    dimethyl isosorbide 308.64
    tetrachloroethylene 780.78
    eugenol 131.91
    triacetin 218.13
    span 80 80.74
    1,4-butanediol 51.25
    1,1-dichloroethane 627.0
    2-methyl-1-pentanol 45.35
    methyl formate 659.01
    2-methyl-1-butanol 39.29
    n-decane 9.08
    butyronitrile 216.76
    3,7-dimethyl-1-octanol 41.15
    1-chlorooctane 43.92
    1-chlorotetradecane 18.23
    n-nonane 8.88
    undecane 6.82
    tert-butylcyclohexane 15.44
    cyclooctane 13.52
    cyclopentanol 126.63
    tetrahydropyran 352.79
    tert-amyl methyl ether 107.08
    2,5,8-trioxanonane 250.44
    1-hexene 40.01
    2-isopropoxyethanol 144.92
    2,2,2-trifluoroethanol 279.59
    methyl butyrate 377.6

    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
Cymbopogon microstachys Cymbopogon microstachys (Hook. f.) S. Soenarko, fam. Poaceae (Gramineae) 1.0%
Empleurum fragrans Empleurum fragrans Glover, fam. Diosmeae 2.3%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Carrot seed (Japan) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.28%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.2%