Vanillin

  • Identifiers

    CAS mumber
    121-33-5

    Molecular formula
    C8H8O3

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

    Retention indicies (RI)

    • DB5: 1401.6
    • Carbowax: 2502.33

  • Properties

    XLogP3-AA
    1.2 Well soluble in MMB, TEC, DEP

    Molecular weight
    152.15 g/mol

    Melting points

    • 178 to 181 °F (NTP, 1992)
    • 81-83 °C
    • 81.5 °C
    • 81-83 °C

    Boiling points

    • 545 °F at 760 mmHg (NTP, 1992)
    • 285 °C
    • 285.00 to 286.00 °C. @ 760.00 mm Hg
    • 285 °C

    Flash points

    • 153 °C (307 °F) - closed cup
    • 153 °C c.c.

    Solubilities

    • Slightly soluble (NTP, 1992)
    • In water, 1.102X10+4 mg/L at 25 °C
    • In water >2%; in ethanol is 1:2 vanillin:ethanol. Freely soluble in chloroform, ether, in solutions of fixed alkali hydroxides; solutions in glycerin and hot water.
    • Soluble in 125 parts water, 20 parts glycerin, 2 parts 95% alcohol, chloroform, ether.
    • Very soluble in ethanol, diethyl ether, acetone; soluble in benzene, ligroin
    • 11 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 1.0
    • slightly soluble in water; soluble in organic solvents, oils
    • freely soluble (in ethanol)

  • Synonyms

    • vanillin
    • 4-Hydroxy-3-methoxybenzaldehyde
    • 121-33-5
    • Vanillaldehyde
    • Vanillic aldehyde
    • p-Vanillin
    • Lioxin
    • Vanilline
    • 3-Methoxy-4-hydroxybenzaldehyde
    • Vanilla
    • 4-Hydroxy-m-anisaldehyde
    • 2-Methoxy-4-formylphenol
    • Benzaldehyde, 4-hydroxy-3-methoxy-
    • Zimco
    • p-Hydroxy-m-methoxybenzaldehyde
    • 4-Hydroxy-3-methoxy-benzaldehyde
    • Methylprotocatechuic aldehyde
    • 4-Formyl-2-methoxyphenol
    • Vanilin
    • Vanillin (natural)
    • 4-Hydroxy-5-methoxybenzaldehyde
    • m-Anisaldehyde, 4-hydroxy-
    • Protocatechualdehyde, methyl-
    • FEMA No. 3107
    • vaniline
    • Rhovanil
    • Protocatechualdehyde 3-methyl ether
    • Vanillin (NF)
    • NSC 15351
    • CCRIS 2687
    • Vanillin Melting Point Standard
    • HSDB 1027
    • Vanillin, natural
    • EINECS 204-465-2
    • MFCD00006942
    • NSC-15351
    • NSC-48383
    • Vanillin [NF]
    • NSC-403658
    • UNII-CHI530446X
    • BRN 0472792
    • m-Methoxy-p-hydroxybenzaldehyde
    • Vanillin (Standard)
    • CHEBI:18346
    • 4-hydroxy-3-methoxy-benzyldehyde
    • AI3-00093
    • NPLC-0145
    • CHI530446X
    • CHEMBL13883
    • DTXSID0021969
    • EC 204-465-2
    • H-0264
    • 4-08-00-01763 (Beilstein Handbook Reference)
    • NSC15351
    • Vanillin-13C
    • 4-HYDROXY,3-METHOXY-BENZALDEHYDE
    • NCGC00091645-03
    • 4-hydroxy-3-methoxybenzaldehyde (vanillin)
    • VANILLIN (II)
    • VANILLIN [II]
    • VANILLIN (MART.)
    • VANILLIN [MART.]
    • WLN: VHR DQ CO1
    • Vanillin [USAN]
    • DTXCID301969
    • VANILLIN (EP MONOGRAPH)
    • VANILLIN [EP MONOGRAPH]
    • Vanillinum
    • Oleoresin vanilla
    • Vanilla oleoresin
    • CAS-121-33-5
    • 3-methoxy-4-hydroxy-benzaldehyde
    • Vanillin Essential
    • Vanillin ex Clove
    • oleo-Resins vanilla
    • V55
    • Vanillin - natural
    • Vanillin sodium salt
    • Vanillin (Rhovanil)
    • Vanillin - synthetic
    • Vanillin (Rhovea(R))
    • VANILLIN [FHFI]
    • VANILLIN [HSDB]
    • FEMA Number 3107
    • oleo-Resins vanilla-bean
    • VANILLIN [FCC]
    • VANILLIN [MI]
    • VANILLIN [VANDF]
    • methyl-Protocatechualdehyde
    • bmse000343
    • bmse000597
    • bmse010006
    • Methylprotcatechuic aldehyde
    • VANILLIN [USP-RS]
    • VANILLIN [WHO-DD]
    • SCHEMBL1213
    • Vanillin Nat Ex ferulic acid
    • MLS002303069
    • BIDD:ER0330
    • Vanillin, puriss., 99.5%
    • GTPL6412
    • SGCUT00016
    • 4-hydroxy 3-methoxybenzaldehyde
    • METHYLPROTOCATECHUALDEHYDE
    • HY-N0098R
    • Vanilla oleoresin (vanilla SPP)
    • 3-methoxy-4-hydroxy benzaldehyde
    • 4-hydroxy-3-methoxy benzaldehyde
    • VANILLIN, NATURAL [FHFI]
    • 3-methoxy-4-hydroxy benzoaldehyde
    • Vanillin, ReagentPlus(R), 99%
    • 4-hydroxy-3-(methoxy)benzaldehyde
    • HMS3651D20
    • HMS3885K07
    • Vanillin, >=97%, FCC, FG
    • 4-hydoxy-3-(methyloxy)benzaldehyde
    • BCP29943
    • HY-N0098
    • LDA88484
    • NSC48383
    • STR01001
    • to_000089
    • Tox21_113534
    • Tox21_201925
    • Tox21_300352
    • 4-hydoxy-3-(methyloxy)benz aldehyde
    • BBL011956
    • BDBM50177405
1 3

Botanical

Name CAS Botanical Proportion
Aristolochia asclepiadifolia root Aristolochia asclepiadifolia, fam. Aristolochiaceae 2.0%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.01%
Cabreuva balsam Myroxylon peruiferum L. F., fam. Leguminosae (Papillionaceae) 0.27%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.05%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.31%
Zingiber cassumunar root (Indonesia) 2 Zingiber cassumunar Roxb., fam. Zingiberaceae 0.01%
Ambrette seed (China) 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.02%
Jasmine oil (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.1%
Jasmine absolute (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.14%
Jasmine absolute (France) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.1%
Jasmine absolute (Italy) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.1%
Jasmine absolute (India) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.1%
Jasmine absolute (Morocco) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.1%
Jasmine absolute (Egypt) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.1%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.08%
Carrot seed (Japan) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.51%
Vanilla 1 8024-06-4 Vanilla fragrans Ames (V. planifolia Andrews), fam. Orchidaceae 85.0%
Vanilla 2 8024-06-4 Vanilla fragrans Ames (V. planifolia Andrews), fam. Orchidaceae 85.0%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.03%
Kaempferia galanga rhizome (Malaysia) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 0.01%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.38%
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.56%
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Skimmia laureola (India) 2 Skimmia laureola Sieb. et Zucc., fam. Rutaceae 4.6%
Asparagus officinalis (China) stem Asparagus officinalis L., fam. Liliaceae 0.21%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Aerangis brachycarpa flower headspace Aerangis brachycarpa Rchb. f., fam. Orchidaceae 0.05%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 0.05%
Jasmine polyanthum flower headspace Jasminum polyanthum L., fam. Oleaceae 0.59%
Jasmine (China) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.13%
Couroupita guaianensis flower (Malaysia) Couroupita guianensis Auble, fam. Lecythidaceae 0.3%
Hyptis suaveolens (Vietnam) Hyptis suaveolens (L.) Poit., fam. Lamiaceae (Labiatae) 0.01%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.2%
Magnolia coco Magnolia coco (Lour.) DC., fam. Magnoliaceae 0.1%
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.01%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.11%
Clove bud (India) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.05%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.01%
Keora (India) 2 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 0.02%
Datura flower headspace (Japan) Datura candida (Pers.), fam. Solanaceae 0.36%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.05%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Cassia, bark (China) 5 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.3%
Cassia, bark (China) 4a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.05%
Cassia, leaf (China) 4b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Thapsia garganica root Thapsia garganica L., fam. Apiaceae (Umbelliferae) 0.01%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.26%