4-piperidinobenzoic acid

Modify Date: 2025-08-25 10:25:08

4-piperidinobenzoic acid Structure
4-piperidinobenzoic acid structure
Common Name 4-piperidinobenzoic acid
CAS Number 22090-24-0 Molecular Weight 205.253
Density 1.2±0.1 g/cm3 Boiling Point 388.9±25.0 °C at 760 mmHg
Molecular Formula C12H15NO2 Melting Point 222 - 224ºC
MSDS N/A Flash Point 189.0±23.2 °C

 Names

Name 4-piperidin-1-ylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 388.9±25.0 °C at 760 mmHg
Melting Point 222 - 224ºC
Molecular Formula C12H15NO2
Molecular Weight 205.253
Flash Point 189.0±23.2 °C
Exact Mass 205.110275
PSA 40.54000
LogP 2.66
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.580
InChIKey DGJNUESQBVPXAY-UHFFFAOYSA-N
SMILES O=C(O)c1ccc(N2CCCCC2)cc1
Storage condition 2-8°C

 MSDS

Name: 4-Piperidinobenzoic acid Material Safety Data Sheet
Synonym:
CAS: 22090-24-0
Section 1 - Chemical Product MSDS Name:4-Piperidinobenzoic acid Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
22090-24-0 4-Piperidinobenzoic acid 97+% unlisted
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 22090-24-0: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Off white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 222 - 224 deg C
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: C12H15NO2
Molecular Weight: 205.26

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents, strong bases, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 22090-24-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Piperidinobenzoic acid - Not listed by ACGIH, IARC, or NTP.

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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 22090-24-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22090-24-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22090-24-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases 36
Safety Phrases 26
HS Code 2933399090

 Synthetic Route

~87%

4-piperidinobenzoic acid Structure

4-piperidinoben...

CAS#:22090-24-0

Literature: WYETH Patent: US2006/287522 A1, 2006 ; Location in patent: Page/Page column 54 ; US 20060287522 A1

~50%

4-piperidinobenzoic acid Structure

4-piperidinoben...

CAS#:22090-24-0

Literature: Boehringer Ingelheim International GmbH Patent: US2004/242572 A1, 2004 ; Location in patent: Page/Page column 59 ;

~%

4-piperidinobenzoic acid Structure

4-piperidinoben...

CAS#:22090-24-0

Literature: WO2009/43890 A1, ; Page/Page column 55-56 ; WO 2009/043890 A1

~80%

4-piperidinobenzoic acid Structure

4-piperidinoben...

CAS#:22090-24-0

Literature: Khuthier, Abdul-Hussain; Al-Mallah, Khawla Y.; Hanna, Salim Y.; Abdulla, Noor-Aldeen I. Journal of Organic Chemistry, 1987 , vol. 52, # 9 p. 1710 - 1713

~%

4-piperidinobenzoic acid Structure

4-piperidinoben...

CAS#:22090-24-0

Literature: Journal of the American Chemical Society, , vol. 62, p. 2995,3001

~%

4-piperidinobenzoic acid Structure

4-piperidinoben...

CAS#:22090-24-0

Literature: Molecular Crystals and Liquid Crystals (1969-1991), , vol. 124, p. 269 - 276

~%

4-piperidinobenzoic acid Structure

4-piperidinoben...

CAS#:22090-24-0

Literature: Chemische Berichte, , vol. 40, p. 857

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-piperidylbenzoic acid
Benzoic acid, 4-(1-piperidinyl)-
4-Piperidin-1-yl-benzoic acid
4-piperidine-1-ylbenzoic acid
1-(4-Carboxyphenyl)piperidine
4-piperidinobenzoic acid
4-Piperidino-benzoesaeure
4-(piperidin-1-yl)benzoic acid
4-(1-Piperidinyl)-benzoic acid
4-(1-Piperidinyl)benzoic acid
4-piperidin-1-ylbenzoic acid
MFCD00587602
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