4-isopropoxybenzaldehyde

Modify Date: 2024-01-04 12:27:33

4-isopropoxybenzaldehyde Structure
4-isopropoxybenzaldehyde structure
Common Name 4-isopropoxybenzaldehyde
CAS Number 18962-05-5 Molecular Weight 164.20100
Density 1.036 Boiling Point 108-110 °C (5 mmHg)
Molecular Formula C10H12O2 Melting Point N/A
MSDS USA Flash Point 108-110°C/5mm

 Use of 4-isopropoxybenzaldehyde


ALDH1A3-IN-3 (compound 16) is a potent inhibitor of ALDH1A3, with an IC50 of 0.26 μM. ALDH1A3-IN-3 is also a good ALDH3A1 substrate. ALDH1A3-IN-3 can be used for the research of prostate cancer[1].

 Names

Name 4-propan-2-yloxybenzaldehyde
Synonym More Synonyms

 4-isopropoxybenzaldehyde Biological Activity

Description ALDH1A3-IN-3 (compound 16) is a potent inhibitor of ALDH1A3, with an IC50 of 0.26 μM. ALDH1A3-IN-3 is also a good ALDH3A1 substrate. ALDH1A3-IN-3 can be used for the research of prostate cancer[1].
Related Catalog
Target

IC50: 0.26 μM (ALDH1A3)[1]

References

[1]. Ibrahim AIM, et, al. Expansion of the 4-(Diethylamino)benzaldehyde Scaffold to Explore the Impact on Aldehyde Dehydrogenase Activity and Antiproliferative Activity in Prostate Cancer. J Med Chem. 2022 Mar 10;65(5):3833-3848.

 Chemical & Physical Properties

Density 1.036
Boiling Point 108-110 °C (5 mmHg)
Molecular Formula C10H12O2
Molecular Weight 164.20100
Flash Point 108-110°C/5mm
Exact Mass 164.08400
PSA 26.30000
LogP 2.28630
Vapour Pressure 0.00982mmHg at 25°C
Index of Refraction 1.545-1.547

 MSDS

Name: 4-Isopropoxybenzaldehyde Material Safety Data Sheet
Synonym: None Known
CAS: 18962-05-5
Section 1 - Chemical Product MSDS Name:4-Isopropoxybenzaldehyde Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
18962-05-5 4-Isopropoxybenzaldehyde 98% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Air sensitive.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Place under an inert atmosphere.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Keep container tightly closed. Avoid ingestion and inhalation. Handle under an inert atmosphere. Store protected from air. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container. Do not expose to air. Store under an inert atmosphere.

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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 18962-05-5: 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 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: Clear liquid
Color: colorless to yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 108 - 110 deg C @ 5 mmHg
Freezing/Melting Point: Not available.
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: C10H12O2
Molecular Weight: 164.21

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 18962-05-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Isopropoxybenzaldehyde - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 18962-05-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18962-05-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18962-05-5 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 R36/37/38
Safety Phrases S37/39-S26
HS Code 2912499000

 Synthetic Route

~78%

4-isopropoxybenzaldehyde Structure

4-isopropoxyben...

CAS#:18962-05-5

Literature: Rosales, Carmen Almansa; Gonzalez Gonzalez, Concepcion; Torres Barreda, Maria Carmen Patent: US2003/176481 A1, 2003 ;

~98%

4-isopropoxybenzaldehyde Structure

4-isopropoxyben...

CAS#:18962-05-5

Literature: Amslinger, Sabine; Lindner, Simon K. Synthesis, 2011 , # 16 art. no. T46111SS, p. 2671 - 2683

~78%

4-isopropoxybenzaldehyde Structure

4-isopropoxyben...

CAS#:18962-05-5

Literature: Meshram; Goud, P. Ramesh; Reddy, B. Chennakesava; Kumar, D. Aravind Synthetic Communications, 2010 , vol. 40, # 14 p. 2122 - 2129

~%

4-isopropoxybenzaldehyde Structure

4-isopropoxyben...

CAS#:18962-05-5

Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <4> 3, p. 274,275

 Customs

HS Code 2912499000
Summary 2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

 Synonyms

4-Isopropoxybenzaldehyde
p-isopropoxybenzaldehyde
p-isopropyloxy benzaldehyde
4-ISOPROPOXY-1-FORMYLBENZENE
4-iso-propyloxybenzaldehyde
MFCD00052357
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