4-Cyano-3,5-dimethylphenol

Modify Date: 2024-01-08 21:17:07

4-Cyano-3,5-dimethylphenol Structure
4-Cyano-3,5-dimethylphenol structure
Common Name 4-Cyano-3,5-dimethylphenol
CAS Number 58537-99-8 Molecular Weight 147.174
Density 1.1±0.1 g/cm3 Boiling Point 313.7±30.0 °C at 760 mmHg
Molecular Formula C9H9NO Melting Point 176ºC
MSDS USA Flash Point 143.5±24.6 °C

 Names

Name 4-Hydroxy-2,6-dimethylbenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 313.7±30.0 °C at 760 mmHg
Melting Point 176ºC
Molecular Formula C9H9NO
Molecular Weight 147.174
Flash Point 143.5±24.6 °C
Exact Mass 147.068420
PSA 44.02000
LogP 2.52
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.564

 MSDS

Name: 4-Hydroxy-2 6-dimethylbenzonitrile 97% Material Safety Data Sheet
Synonym: 2,6-Dimethyl-4-hydroxybenzonitril
CAS: 58537-99-8
Section 1 - Chemical Product MSDS Name:4-Hydroxy-2 6-dimethylbenzonitrile 97% Material Safety Data Sheet
Synonym:2,6-Dimethyl-4-hydroxybenzonitril

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
58537-99-8 4-Hydroxy-2,6-dimethylbenzonitrile 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause 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# 58537-99-8: 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: 169 - 173 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: C9H9NO
Molecular Weight: 147

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 58537-99-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Hydroxy-2,6-dimethylbenzonitrile - 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
Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 58537-99-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 58537-99-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 58537-99-8 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 Xn: Harmful;
Risk Phrases R20/21/22
Safety Phrases S26
RIDADR UN 3276
HS Code 2926909090

 Synthetic Route

~61%

4-Cyano-3,5-dimethylphenol Structure

4-Cyano-3,5-dim...

CAS#:58537-99-8

Literature: Ramnauth, Jailall; Bhardwaj, Namrta; Renton, Paul; Rakhit, Suman; Maddaford, Shawn P. Synlett, 2003 , # 14 p. 2237 - 2239

~46%

4-Cyano-3,5-dimethylphenol Structure

4-Cyano-3,5-dim...

CAS#:58537-99-8

Literature: Marshall, Laura J.; Cable, Karl M.; Botting, Nigel P. Journal of Labelled Compounds and Radiopharmaceuticals, 2010 , vol. 53, # 5-6 p. 457 - 459

~%

4-Cyano-3,5-dimethylphenol Structure

4-Cyano-3,5-dim...

CAS#:58537-99-8

Literature: Fortsch. Ch. Phys., vol. 18, p. Heft 2, S. 23

~%

4-Cyano-3,5-dimethylphenol Structure

4-Cyano-3,5-dim...

CAS#:58537-99-8

Literature: Tetrahedron Letters, , vol. 35, # 43 p. 7901 - 7904

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

4-Hydroxy-2,6-dimethylbenzonitrile
2,6-dimethyl-4-hydroxy-benzonitrile
Benzonitrile, 4-hydroxy-2,6-dimethyl-
4-Cyano-3,5-dimethylphenol
MFCD00238591
2,6-Dimethyl-4-hydroxybenzonitrile
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