Protocatechuic acid
Also known as 3,4-Dihydroxybenzoic acid, 4-Carboxy-1,2-dihydroxybenzene, Protocatehuic acid
Key facts
What buyers check first
- CAS number
- 99-50-3
- Formula
- C7H6O4
- Molar mass
- 154.12 g/mol
- EC number
- 202-760-0
- HS code
- 291829
- Category
- Skin conditioning agents and actives
What is Protocatechuic acid?
Plain description, key identifiers and synonyms
3,4-dihydroxybenzoic acid is a dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. It has a role as an EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor, an antineoplastic agent, a plant metabolite, a human xenobiotic metabolite and an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor. It is a dihydroxybenzoic acid and a member of catechols. It is functionally related to a benzoic acid. It is a conjugate acid of a 3,4-dihydroxybenzoate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3,4-dihydroxybenzoic acid
- CAS number
- 99-50-3 CAS number cross-checkedOther or deprecated CAS: 1225528-47-1
- EC number
- 202-760-0
- Molecular formula
- C7H6O4
- UNII
- 36R5QJ8L4B
- MDL number
- MFCD00002509
- INCI name
- 3,4-DIHYDROXYBENZOIC ACID
- InChIKey
- YQUVCSBJEUQKSH-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
- SMILES (canonical and isomeric)
- C1=CC(=C(C=C1C(=O)O)O)O
Synonyms
- 3,4-Dihydroxybenzoic acid
- 4-Carboxy-1,2-dihydroxybenzene
- Protocatehuic acid
- 4,5-Dihydroxybenzoic acid
- protocatechuate
- Benzoic acid, 3,4-dihydroxy-
- 3,4-Dihydroxy Benzoic Acid
- Carbohydroquinonic acid
- 3,4-dihydroxy-benzoic acid
- Catechol-4-carboxylic Acid
- 1ykp
- 3, 4-Dihydroxybenzoic acid
- protocatechuicacid
- b-Resorcylate
- beta-Resorcylate
- procatechuic acid
- ProtocatechicAcid
- 4fht
- protoeatechuic acid
- protocatechulic acid
- 3,4-dihydrobenzonic acid
- Protocatechoic acid
- Protocatechuic acid (M1)
- 3,4-dihodroxybenzoic acid
- 3,4-dihydoxy benzoic acid
Show all 34 synonymsShow fewer synonyms
- 3,4-Dihydroxybenzoate, VIII
- Protocatechuic acid (Standard)
- Pyrocatechol-4-carboxylic Acid
- Protocatechuic acid (pca)
- Dihydroxybenzoic acid, 3,4-
- 1,2-Dihydroxybenzene-4-carboxylic acid
- 3,4-Dihydroxybenzoic Acid (See P6857)
- 3,4-Dihydroxybenzoic acid, >=97.0% (T)
- 3,4-Dihydroxybenzoic acid, analytical standard
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 154.12 g/molcalc.Computed value |
|---|---|
| Exact mass | 154.0266 Dacalc.Computed value |
| LogP (octanol/water) | 0.8calc.Computed value |
| Topological polar surface area | 77.76 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 11calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H335May cause respiratory irritation.
Precautionary statements (16)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidProtocatechuic acid suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- IndiaUnclaimed profileProtocatechuic AcidGrade, purity and minimum order on requestPrice on request
- Price on request
- India, HyderabadUnclaimed profileProtocatechuic AcidGrade, purity and minimum order on requestPrice on request
- India, Mumbai ManufacturerUnclaimed profileProtocatechuic AcidGrade, purity and minimum order on requestPrice on request
- ManufacturerUnclaimed profileProtocatechuic AcidGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileProtocatechuic AcidGrade, purity and minimum order on requestPrice on request
- China, BeijingUnclaimed profileProtocatechuic AcidGrade, purity and minimum order on requestPrice on request
- China, NanjingUnclaimed profileProtocatechuic AcidGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profileProtocatechuic AcidGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileProtocatechuateGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
121 suppliers in 15 countries
- China44
- United States37
- India6
- Germany5
- United Kingdom5
- Hong Kong3
- and 9 more countries
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Protocatechuic acid price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Cosmetic ingredient, INCI name 3,4-DIHYDROXYBENZOIC ACID(skin protecting)
Pharmacological actions
- Anticarcinogenic Agents
Roles
- animal metabolite
- antineoplastic agent
- enzyme inhibitor
- eukaryotic metabolite
- human metabolite
- human xenobiotic metabolite
- mammalian metabolite
- metabolite
- pharmaceutical
- plant metabolite
- xenobiotic metabolite
Functional uses
- Flavouring and nutrient
- Humectant
Cosmetic functions
- Skin protecting
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Protocatechuic acid is traded under.
Carboxylic acids, (with phenol function but without other oxygen function), their anhydrides, halides…
- China30.5%
- South Korea18.3%
- Switzerland * partner reported13.3%
- United States14.7%
- Germany13.3%
- Japan10.3%
* Partner reported figures, a lower bound.
The HS code shown for Protocatechuic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Protocatechuic acid, based on the data on this page
What is Protocatechuic acid?
What is the CAS number of Protocatechuic acid?
What is the molecular formula and weight of Protocatechuic acid?
What is Protocatechuic acid used for?
Is Protocatechuic acid hazardous?
What is the HS code of Protocatechuic acid?
Where can I buy Protocatechuic acid?
Where can I buy Protocatechuic acid in India?
What is the price of Protocatechuic acid?
Guides for buyers
Practical guides that help when you source, ship or handle Protocatechuic acid
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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