Dopac
Also known as 3,4-Dihydroxyphenylacetic acid, 2-(3,4-Dihydroxyphenyl)acetic acid, Homoprotocatechuic acid
Key facts
What buyers check first
- CAS number
- 102-32-9
- Formula
- C8H8O4
- Molar mass
- 168.15 g/mol
- EC number
- 203-024-1
- HS code
- 291829
- Category
- Impurities and reference standards
What is Dopac?
Plain description, key identifiers and synonyms
(3,4-dihydroxyphenyl)acetic acid is a dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine. It has a role as a human metabolite. It is a member of catechols and a dihydroxyphenylacetic acid. It is functionally related to a phenylacetic acid. It is a conjugate acid of a (3,4-dihydroxyphenyl)acetate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-(3,4-dihydroxyphenyl)acetic acid
- CAS number
- 102-32-9 CAS number cross-checked
- EC number
- 203-024-1
- Molecular formula
- C8H8O4
- UNII
- KEX5N0R4N5
- MDL number
- MFCD00004338
- InChIKey
- CFFZDZCDUFSOFZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
- SMILES (canonical and isomeric)
- C1=CC(=C(C=C1CC(=O)O)O)O
Synonyms
- 3,4-Dihydroxyphenylacetic acid
- 2-(3,4-Dihydroxyphenyl)acetic acid
- Homoprotocatechuic acid
- Dopacetic acid
- Benzeneacetic acid, 3,4-dihydroxy-
- Acetic acid, (3,4-dihydroxyphenyl)-
- BA 2773
- 3,4 Dihydroxyphenylacetic Acid
- 3,4-Dihydroxybenzeneacetic acid
- Dihydroxyphenylacetic acid
- (3,4-Dihydroxyphenyl)acetic acid
- 3,4-Dihydroxy-phenylacetic acid
- Dopamine Impurity 8
- 3,4-Dihydroxyphenylaceticacid
- Catechol-4-acetic Acid
- 3,4-DHPOP
- 3,4-dihydroxyphenyl acetic acid
- 4-Carboxymethylcatechol
- Acetic acid, (3,4-dihydroxyphenyl)-,
- DHY
- 3,4-Dihydroxyphenylacetate, XV
- 4-Carboxymethylpyrocatechol
- Dopacetate
- 3pcn
- Dihydroxyphenylacetate
Show all 34 synonymsShow fewer synonyms
- 1ai4
- Pyrocatechol-4-acetic Acid
- 3,4-Dihydroxybenzeneacetate
- 34-Dihydroxyphenylacetic Acid
- Benzeneacetic acid,4-dihydroxy-
- Acetic acid,4-dihydroxyphenyl)-
- 3,4-dihydroxy-Benzeneacetic acid
- 3,4-dihydroxyl phenylacetic acid
- (3,4-dihydroxyphenyl)-Acetic acid
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 | 168.15 g/molcalc.Computed value |
|---|---|
| Exact mass | 168.0423 Dacalc.Computed value |
| LogP (octanol/water) | 0.72calc.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 | 2calc.Computed value |
| Heavy atoms | 12calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.13calc.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 aidDopac suppliers
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- Price on request
- Price on request
- India, Hyderabad ManufacturerUnclaimed profileDopacGrade, purity and minimum order on requestPrice on request
- Price on request
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Where suppliers are based
93 suppliers in 17 countries
- China34
- United States30
- Germany6
- United Kingdom5
- Spain3
- India2
- and 11 more countries
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Dopac 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
Roles
- animal metabolite
- eukaryotic metabolite
- human metabolite
- mammalian metabolite
- metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Dopac 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 Dopac is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Dopac, based on the data on this page
What is Dopac?
What is the CAS number of Dopac?
What is the molecular formula and weight of Dopac?
What is Dopac used for?
Is Dopac hazardous?
What is the HS code of Dopac?
Where can I buy Dopac?
Where can I buy Dopac in India?
What is the price of Dopac?
Guides for buyers
Practical guides that help when you source, ship or handle Dopac
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.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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