Phloroglucinol carboxylic acid

Modify Date: 2024-01-02 19:55:38

Phloroglucinol carboxylic acid Structure
Phloroglucinol carboxylic acid structure
Common Name Phloroglucinol carboxylic acid
CAS Number 83-30-7 Molecular Weight 170.120
Density 1.7±0.1 g/cm3 Boiling Point 426.5±30.0 °C at 760 mmHg
Molecular Formula C7H6O5 Melting Point ~210 °C (dec.)
MSDS N/A Flash Point 225.9±21.1 °C

 Use of Phloroglucinol carboxylic acid


2,4,6-Trihydroxybenzoic acid, the flavonoid metabolite, is a CDK inhibitor. 2,4,6-Trihydroxybenzoic acid can be used for the research of cancer[1].

 Names

Name 2,4,6-Trihydroxybenzoic Acid
Synonym More Synonyms

 Phloroglucinol carboxylic acid Biological Activity

Description 2,4,6-Trihydroxybenzoic acid, the flavonoid metabolite, is a CDK inhibitor. 2,4,6-Trihydroxybenzoic acid can be used for the research of cancer[1].
Related Catalog
References

[1]. Sankaranarayanan R, et, al. The Flavonoid Metabolite 2,4,6-Trihydroxybenzoic Acid Is a CDK Inhibitor and an Anti-Proliferative Agent: A Potential Role in Cancer Prevention. Cancers (Basel). 2019 Mar 26;11(3):427.

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 426.5±30.0 °C at 760 mmHg
Melting Point ~210 °C (dec.)
Molecular Formula C7H6O5
Molecular Weight 170.120
Flash Point 225.9±21.1 °C
Exact Mass 170.021530
PSA 97.99000
LogP 1.80
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.730

 MSDS

Name: 2,4,6-Trihydroxybenzoic Acid Monohydrate, 95% Material Safety Data Sheet
Synonym: Phloroglucinolcarboxylic Acid Monohydrate.
CAS: 83-30-7
Section 1 - Chemical Product MSDS Name: 2,4,6-Trihydroxybenzoic Acid Monohydrate, 95% Material Safety Data Sheet
Synonym: Phloroglucinolcarboxylic Acid Monohydrate.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
83-30-7 2,4,6-Trihydroxybenzoic Acid Monohydra 95% 201-467-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:


SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. Use agent most appropriate to extinguish fire.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 83-30-7: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Crystalline powder
Color: light beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 210 deg C dec
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H6O5
Molecular Weight: 170.12
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 83-30-7: DH8910000
LD50/LC50:
Not available.
Carcinogenicity:
2,4,6-Trihydroxybenzoic Acid Monohydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:


SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 83-30-7: No information available. Canada CAS# 83-30-7 is listed on Canada's NDSL List. CAS# 83-30-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 83-30-7 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #3 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH8910000
CHEMICAL NAME :
Benzoic acid, 2,4,6-trihydroxy-
CAS REGISTRY NUMBER :
83-30-7
BEILSTEIN REFERENCE NO. :
2212148
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H6-O5
MOLECULAR WEIGHT :
170.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 196,478,1976

 Safety Information

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S22-S24/25-S26-S37/39
WGK Germany 3
RTECS DH8910000
HS Code 2918290000

 Synthetic Route

 Customs

HS Code 2918290000
Summary HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

 Synonyms

Phloroglucinic acid
Phloroglucinol carboxylic acid
Phloroglucinolcarboxylic acid
2,4,6-Trihydroxybenzoic acid
Benzoic acid, 2,4,6-trihydroxy-
EINECS 201-467-5
MFCD00002453