p-Anisaldehyde

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  • Identifiers

    CAS number
    123-11-5

    Molecular formula
    C8H8O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1262.0
    • Carbowax: 1994.71

  • Odor profile

    Sweet 94.82%
    Floral 75.59%
    Anisic 72.18%
    Cherry 68.29%
    Vanilla 66.73%
    Almond 63.18%
    Spicy 62.24%
    Powdery 58.11%
    Hawthorn 56.11%
    Herbal 55.35%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 0 °C

    Boiling point

    • 255 °C
    • 248.00 to 249.00 °C. @ 760.00 mm Hg

    Flash point est.
    101.78 ˚C

    Flash point expt.

    • 116 °C (241 °F) - closed cup

    Solubility expt.

    • In water, 4.29X10+3 mg/L at 25 °C
    • Insoluble in water
    • Miscible with ethanol, diethyl ether; very soluble in acetone, chloroform; soluble in benzene.
    • Soluble in 5 volumes of 5% alcohol
    • 4.29 mg/mL at 25 °C
    • poorly soluble in water, glycols, glycerol; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-Methoxybenzaldehyde
    • 123-11-5
    • P-ANISALDEHYDE
    • Anisic aldehyde
    • Anisaldehyde
    • p-Methoxybenzaldehyde
    • Benzaldehyde, 4-methoxy-
    • Aubepine
    • 4-Anisaldehyde
    • p-Formylanisole
    • Crategine
    • Obepin
    • p-Anisic aldehyde
    • para-anisaldehyde
    • 4-Methoxy-benzaldehyde
    • Formylanisole, p-
    • anisal
    • Caswell No. 051E
    • FEMA No. 2670
    • MFCD00003385
    • NSC 5590
    • CCRIS 821
    • 4-methoxy benzaldehyde
    • para-methoxybenzaldehyde
    • p-Methoxybenzaldehyde (natural)
    • HSDB 2641
    • EINECS 204-602-6
    • UNII-9PA5V6656V
    • p-methoxy benzaldehyde
    • DTXSID2026997
    • AI3-00223
    • 9PA5V6656V
    • NSC-5590
    • 50984-52-6
    • p-Methoxybenzaldehyde-13C6
    • CHEMBL161598
    • DTXCID906997
    • CHEBI:28235
    • EC 204-602-6
    • P-ANISALDEHYDE (USP-RS)
    • P-ANISALDEHYDE [USP-RS]
    • CAS-123-11-5
    • MEPYRAMINE MALEATE IMPURITY P (EP IMPURITY)
    • MEPYRAMINE MALEATE IMPURITY P [EP IMPURITY]
    • anisaldehyd
    • Anis aldehyde
    • FEMA 2670
    • 4-methoxybenzaldehye
    • 4-methoxybezaldehyde
    • EINECS 256-891-3
    • Anisaldehyde (para)
    • 4-methoxylbenzaldehyde
    • p-Anisaldehyde, 8CI
    • 4-methoxybenzylaldehyde
    • BRN 0471382
    • p-Anisaldehyde, 98%
    • p-Anisaldehyde, Reagent
    • benzaldehyde, 4-methoxy
    • para-methoxy benzaldehyde
    • benzaldehyde, p-methoxy-
    • 4-(methyloxy)benzaldehyde
    • bmse010130
    • WLN: VHR DO1
    • SCHEMBL1100
    • P-ANISALDEHYDE [MI]
    • 68894-36-0
    • MLS002152921
    • P-ANISALDEHYDE [HSDB]
    • p-Methoxybenzylidenemalonitrile
    • 4-methoxybenzene carboxaldehyde
    • PARA- METHOXYBENZALDEHYDE
    • HY-Y0740R
    • 4-Methoxybenzaldehyde (Standard)
    • NSC5590
    • HMS3039F08
    • p-Anisaldehyde, analytical standard
    • P-METHOXYBENZALDEHYDE [FCC]
    • HY-Y0740
    • PXB44155
    • p-Anisaldehyde, natural, 98%, FG
    • P-METHOXYBENZALDEHYDE [FHFI]
    • Tox21_201943
    • Tox21_303331
    • AC7808
    • BDBM50139370
    • s5086
    • STL194068
    • AKOS000118814
    • CCG-214805
    • CS-W020189
    • FM05674
    • p-Anisaldehyde (4-Methoxybenzaldehyde)
    • p-Anisaldehyde, for synthesis, 98.0%
    • NCGC00090807-01
    • NCGC00090807-02
    • NCGC00257076-01
    • NCGC00259492-01
    • p-Anisaldehyde, >=97.5%, FCC, FG
    • AC-10379
    • CS-11005
    • SMR001224521
    • SY001689
    • DB-012818
    • A0480
    • A1674
    • BENZALDEHYDE,4-METHOXY MFC8 H8 O2
    • NS00003331
    • EN300-16096
    • 4-08-00-00252 (Beilstein Handbook Reference)
    • A805017
    • Q174937
    • doi:10.14272/ZRSNZINYAWTAHE-UHFFFAOYSA-N.1
    • Z53833125
    • F2190-0575
    • p-Anisaldehyde, primary pharmaceutical reference standard
    • p-Anisaldehyde, certified reference material, TraceCERT(R)
    • p-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard
    • InChI=1/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H
    • 204-602-6

  • Applications

    p-Anisaldehyde (4-methoxybenzaldehyde, CAS 123-11-5) is a sweet floral-vanilla aromatic aldehyde extensively employed in the flavour industry to enhance chocolate, caramel, liqueurs, beverages and chewing gum, in perfumery and cosmetics to reinforce warm heart notes and prolong scent longevity, while also acting as a highly versatile synthetic precursor for anisole derivatives, semi-synthetic pharmaceuticals, biopesticides and antimicrobial surfactants; in analytical chemistry it is one of the most widely used chromogenic reagents for thin-layer chromatography (TLC), producing vivid colour bands with sugars, amino acids, terpenoids and steroids that enable rapid identification of natural products; additional uses include odour-masking additive for plastics, monomer or crosslinker in speciality polymers, surface-modification agent for nanoparticles, and starting material for Baylis–Hillman, Knoevenagel, allylation and other C–C bond-forming reactions, thereby occupying a critical position across pharmaceutical, agricultural and advanced material value chains.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.53
    methanol 125.56
    isopropanol 55.13
    water 1.07
    ethyl acetate 219.36
    n-propanol 73.03
    acetone 234.37
    n-butanol 60.96
    acetonitrile 336.34
    DMF 326.61
    toluene 77.54
    isobutanol 43.77
    1,4-dioxane 396.97
    methyl acetate 292.42
    THF 369.42
    2-butanone 218.35
    n-pentanol 57.85
    sec-butanol 60.22
    n-hexane 7.62
    ethylene glycol 44.22
    NMP 344.6
    cyclohexane 17.14
    DMSO 661.0
    n-butyl acetate 142.46
    n-octanol 21.23
    chloroform 399.45
    n-propyl acetate 151.96
    acetic acid 286.54
    dichloromethane 559.08
    cyclohexanone 215.58
    propylene glycol 38.47
    isopropyl acetate 94.85
    DMAc 339.43
    2-ethoxyethanol 185.86
    isopentanol 56.69
    n-heptane 6.46
    ethyl formate 151.38
    1,2-dichloroethane 380.23
    n-hexanol 47.79
    2-methoxyethanol 221.57
    isobutyl acetate 67.38
    tetrachloromethane 71.42
    n-pentyl acetate 54.29
    transcutol 961.5
    n-heptanol 20.91
    ethylbenzene 47.02
    MIBK 75.7
    2-propoxyethanol 123.82
    tert-butanol 99.98
    MTBE 108.36
    2-butoxyethanol 72.11
    propionic acid 148.17
    o-xylene 59.62
    formic acid 230.06
    diethyl ether 150.71
    m-xylene 45.18
    p-xylene 58.95
    chlorobenzene 157.64
    dimethyl carbonate 97.21
    n-octane 1.76
    formamide 479.46
    cyclopentanone 285.78
    2-pentanone 130.86
    anisole 201.43
    cyclopentyl methyl ether 142.11
    gamma-butyrolactone 389.87
    1-methoxy-2-propanol 124.32
    pyridine 395.21
    3-pentanone 128.84
    furfural 494.09
    n-dodecane 1.47
    diethylene glycol 124.4
    diisopropyl ether 34.1
    tert-amyl alcohol 88.75
    acetylacetone 208.45
    n-hexadecane 1.77
    acetophenone 177.6
    methyl propionate 167.61
    isopentyl acetate 110.02
    trichloroethylene 680.23
    n-nonanol 21.09
    cyclohexanol 64.07
    benzyl alcohol 120.51
    2-ethylhexanol 38.07
    isooctanol 19.06
    dipropyl ether 66.07
    1,2-dichlorobenzene 156.1
    ethyl lactate 66.11
    propylene carbonate 199.74
    n-methylformamide 267.4
    2-pentanol 39.68
    n-pentane 6.19
    1-propoxy-2-propanol 90.03
    1-methoxy-2-propyl acetate 154.35
    2-(2-methoxypropoxy) propanol 144.55
    mesitylene 30.9
    ε-caprolactone 213.65
    p-cymene 32.11
    epichlorohydrin 544.24
    1,1,1-trichloroethane 254.68
    2-aminoethanol 71.93
    morpholine-4-carbaldehyde 413.24
    sulfolane 460.93
    2,2,4-trimethylpentane 5.46
    2-methyltetrahydrofuran 263.9
    n-hexyl acetate 73.2
    isooctane 3.56
    2-(2-butoxyethoxy)ethanol 162.92
    sec-butyl acetate 88.98
    tert-butyl acetate 119.94
    decalin 10.05
    glycerin 80.91
    diglyme 422.82
    acrylic acid 173.69
    isopropyl myristate 31.05
    n-butyric acid 137.92
    acetyl acetate 165.7
    di(2-ethylhexyl) phthalate 38.66
    ethyl propionate 120.43
    nitromethane 734.28
    1,2-diethoxyethane 216.39
    benzonitrile 175.34
    trioctyl phosphate 22.21
    1-bromopropane 124.1
    gamma-valerolactone 361.27
    n-decanol 15.58
    triethyl phosphate 68.21
    4-methyl-2-pentanol 26.49
    propionitrile 158.62
    vinylene carbonate 194.69
    1,1,2-trichlorotrifluoroethane 362.32
    DMS 135.11
    cumene 31.8
    2-octanol 12.83
    2-hexanone 130.32
    octyl acetate 37.9
    limonene 42.97
    1,2-dimethoxyethane 333.34
    ethyl orthosilicate 60.17
    tributyl phosphate 37.94
    diacetone alcohol 124.07
    N,N-dimethylaniline 109.87
    acrylonitrile 255.06
    aniline 148.07
    1,3-propanediol 89.85
    bromobenzene 155.26
    dibromomethane 298.69
    1,1,2,2-tetrachloroethane 433.06
    2-methyl-cyclohexyl acetate 86.84
    tetrabutyl urea 47.26
    diisobutyl methanol 25.27
    2-phenylethanol 85.66
    styrene 78.46
    dioctyl adipate 67.64
    dimethyl sulfate 193.57
    ethyl butyrate 115.73
    methyl lactate 77.48
    butyl lactate 51.65
    diethyl carbonate 100.11
    propanediol butyl ether 71.15
    triethyl orthoformate 88.15
    p-tert-butyltoluene 27.96
    methyl 4-tert-butylbenzoate 91.92
    morpholine 386.08
    tert-butylamine 57.58
    n-dodecanol 12.07
    dimethoxymethane 184.35
    ethylene carbonate 146.26
    cyrene 131.9
    2-ethoxyethyl acetate 129.65
    2-ethylhexyl acetate 90.57
    1,2,4-trichlorobenzene 199.01
    4-methylpyridine 260.2
    dibutyl ether 45.56
    2,6-dimethyl-4-heptanol 25.27
    DEF 189.89
    dimethyl isosorbide 241.89
    tetrachloroethylene 288.23
    eugenol 97.66
    triacetin 141.92
    span 80 81.54
    1,4-butanediol 42.65
    1,1-dichloroethane 234.26
    2-methyl-1-pentanol 57.36
    methyl formate 198.22
    2-methyl-1-butanol 51.19
    n-decane 2.61
    butyronitrile 123.65
    3,7-dimethyl-1-octanol 32.33
    1-chlorooctane 16.17
    1-chlorotetradecane 6.71
    n-nonane 2.43
    undecane 1.87
    tert-butylcyclohexane 8.2
    cyclooctane 5.48
    cyclopentanol 74.33
    tetrahydropyran 228.13
    tert-amyl methyl ether 87.69
    2,5,8-trioxanonane 288.07
    1-hexene 31.01
    2-isopropoxyethanol 116.63
    2,2,2-trifluoroethanol 128.58
    methyl butyrate 156.07

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.23 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.14 %
Category 2
Products applied to the axillae
 0.08 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.14 %
Category 3
Products applied to the face/body using fingertips
 0.14 % Category 8
Products with significant anogenital exposure
 0.031 %
Category 4
Products related to fine fragrance
 1.4 % Category 9
Products with body and hand exposure, primarily rinse off
 0.42 %
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
 0.19 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.093 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 1.1 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.14 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.031 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.031 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.031 %
Category 6
Products with oral and lip exposure
 0.047 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 31 %

Botanical

Name CAS Botanical Proportion
Amomum pavieanum rhizome Amomum pavieanum Pierre & Gagnep, fam. Zingiberaceae 0.1%
Star anise (China) 1 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 1.7%
Star anise (China, Yunnan) 5 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 4.48%
Anise (Spain) 2 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.63%
Anise (Spain) 1 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.56%
Anise (Turkey) 1 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.55%
Anise (USSR) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 2.0%
Star anise (Vietnam) 1 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.45%
Anise seed 1 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.91%
Anise (Egypt) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 2.5%
Anise seed 3 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.53%
Anise herb 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.29%
Anise root 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.01%
Lemon balm (Germany) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Basil (Nigeria) 1 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.14%
Basil 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.06%
Star anise (Vietnam) 2 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.38%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 17.28%
Fennel, bitter 1 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.05%
Fennel, sweet 1 8006-84-6 Foeniculum vulgare Miller, var. dulce DC, fam. Apiaceae (Umbelliferae) 0.1%
Lilac headspace Syringa vulgaris L., fam. Oleaceae 2.4%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.15%
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.05%
Star anise (China) 3 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.45%
Wormwood (Mugwort) (India) 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 2.57%
Backhousia anisata leaf 1 Backhousia anisata Vickery (Chemotype 1), fam. Myrtaceae 0.01%
Backhousia anisata leaf 2 Backhousia anisata Vickery (Chemotype 2), fam. Myrtaceae 0.01%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Cumin (India) 1 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 2.79%
Fennel, pepper (Turkey) Foeniculum vulgare Miller, ssp. piperitum, fam. Apiaceae (Umbelliferae) 0.05%
Fennel, sweet (Turkey) 8006-84-6 Foeniculum vulgare Miller, var. dulce DC, fam. Apiaceae (Umbelliferae) 1.0%
Fennel, sweet (China) 8006-84-6 Foeniculum vulgare Miller, var. dulce DC, fam. Apiaceae (Umbelliferae) 2.89%
Fennel, bitter (Portugal) 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.59%
Fennel, sweet (Russia) 8006-84-6 Foeniculum vulgare Miller, var. dulce DC, fam. Apiaceae (Umbelliferae) 1.0%
Fennel, bitter, stem (Turkey) 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.01%
Fennel, bitter, umbel flower (Turkey) 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.15%
Fennel, bitter, flower (Turkey) 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.13%
Fennel, bitter, fruit (Turkey) 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.01%
Star anise (China, Shangyou) 4 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.26%
Basil (Madagascar) 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.05%
Avocado leaf Persea gratissima Gaertner (P. americana Mill.), fam. Lauraceae 1.26%
Amomum schmidtii Amomum schmidtii Gagnep, fam. Zingiberaceae 0.1%
Agastache foeniculum (giant hyssop) Agastache foeniculum (Pursh.) Kuntze, fam. Lamiaceae (Labiatae) 0.01%
Kaempferia galanga rhizome (Malaysia) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 0.63%
Anise seed 2 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.63%
Fennel, bitter (Hungary) 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.24%
Fennel, bitter (Spain) 1 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.08%
Fennel, sweet 2 8006-84-6 Foeniculum vulgare Miller, var. dulce DC, fam. Apiaceae (Umbelliferae) 0.97%
Star anise (China) 2 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.62%
Tagetes filifolia (Argentina) 1 Tagetes filifolia Lag., fam. Asteraceae (Compositae) 0.05%