3,4-dihydroxybenzaldehyde

protocatechuic aldehyde

CAS: 139-85-5 C7 H6 O3 MW: 138.12242000 medicinal bitter

Identification

Name3,4-dihydroxybenzaldehyde
IUPAC3,4-dihydroxybenzaldehyde
CAS Number139-85-5
EINECS205-377-7
FDA UNII4PVP2HCH4T
Molecular FormulaC7 H6 O3
Molecular Weight138.12242000
MDL NumberMFCD00003370
Nikkaji NumberJ5.647B
Beilstein0774381
CoE Number10328
XlogP31.30 (est)

Regulatory

DG SANTE Food Flavourings05.142 3,4-dihydroxybenzaldehyde

Physical Properties

Appearance white to pale yellow powder (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 154.00 to 155.00 °C. @ 760.00 mm Hg
Boiling Point 323.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.000110 mmHg @ 25.00 °C. (est)
logP (o/w) 1.090
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesantioxidants

Organoleptic Properties

Odor Strength low
Odor Description at 100.00 %.
Taste Description bitter apricot seed

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityintraperitoneal-mouse LD50 205 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07875']

Safety in Use

Categoryflavoring agents
Recommendation for 3,4-dihydroxybenzaldehyde usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)8.50 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)1600 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)3.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)2.00000
Edible ices, including sherbet and sorbet (03.0)3.00000
Processed fruit (04.1)2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)4.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)2.00000
Bakery wares (07.0)5.00000
Meat and meat products, including poultry and game (08.0)1.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)1.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)2.00000
Foodstuffs intended for particular nutritional uses (13.0)3.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)2.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)4.00000
Ready-to-eat savouries (15.0)5.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)2.00000

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Potential Uses

None Found

Natural Occurrence

barley roasted barley beer PMC buckwheat seed buckwheat testa chicory seed coffee - up to 20 mg/kg PMC grape fruit grape leaf sherry PMC vanilla bourbon vanilla - 313 mg/kg wheat wine red wine wine white wine

Synonyms

benzaldehyde, 3,4-dihydroxy- 3,4- DHBAOP 3,4- dihydroxy benzaldehyde 1,2- dihydroxy-4-formylbenzene 3,4- dihydroxy-benzaldehyde dihydroxybenzaldehyde ( 3,4-dihydroxybenzaldehyde ) 3,4- dihydroxybenzene carbonal 3,4- dihydroxybenzenecarbonal 3,4- dihydroxybenzyl aldehyde 4- formyl-1,2-benzenediol 4- formyl-1,2-dihydroxybenzene protocatechualdehyde protocatechuic aldehyde rancinamycin IV PubMed: Characterization of a multifunctional methyltransferase from the orchid Vanilla planifolia. PubMed: [Study on the chemical constituents of Gastrodia elata]. PubMed: [Study on chemical constituents of Cardiospermum halicacabum]. PubMed: [Study on the chemical constituents from Cyathea spinulosa]. PubMed: [Chemical constituents contained in Salvia castanea]. PubMed: [Sesquiterpenoids of Coniogramme maxima]. PubMed: A new inositol derivative from Prenanthes macrophylla. PubMed: Antioxidant hispidin derivatives from medicinal mushroom Inonotus hispidus. PubMed: In vitro antioxidant and anti-inflammatory activities of protocatechualdehyde isolated from Phellinus gilvus. PubMed: [Study on the chemical constituents of Antipathes dichotoma]. PubMed: [Active compounds from rhizomes of Musa basjoo]. PubMed: [Studies on the chemical constituents of marine sponge Iotrochota sp]. PubMed: Antioxidant activity in barley (Hordeum Vulgare L.) grains roasted in a microwave oven under conditions optimized using response surface methodology. PubMed: [Dynamic changes of content of salvianolic acid in vegetative organs of Salvia miltiorrhiza]. PubMed: [Isolation and characterization of polyphenols in seed of Litchi chinensis]. PubMed: Three novel compounds from the leaves of Smallanthus sonchifolius. PubMed: [Studies on the chemical constituents of Salvia miltiorrhiz of Lijiang]. PubMed: [Study on chemical constituents of Orobanche coerulescens]. PubMed: [Studies on polyphenolic chemical constitutents from root of Salvia yunnansis]. PubMed: [Studies on HPLC-fingerprint of Rhizoma Fagopyri Dibotoryis].