22068-49-1

22068-49-1 structure
22068-49-1 structure
  • Name: Phenol,4-(1,3-dithiolan-2-yl)-
  • Chemical Name: 4-(1,3-dithiolan-2-yl)phenol
  • CAS Number: 22068-49-1
  • Molecular Formula: C9H10OS2
  • Molecular Weight: 198.30500
  • Create Date: 2018-02-18 08:00:00
  • Modify Date: 2024-01-04 12:14:55


Name 4-(1,3-dithiolan-2-yl)phenol
Synonyms Phenol,p-(1,3-dithiolan-2-yl)
1,3-Dithiolane,2-(4-hydroxyphenyl)
4-[1,3]dithiolan-2-yl-phenol
MFCD00068127
4-hydroxyphenyl-1,3-dithiolane
p-(1,3-Dithiolan-2-yl)phenol
2-(4-hydroxyphenyl)-1,3-dithiolane
Density 1.319g/cm3
Boiling Point 376.4ºC at 760mmHg
Melting Point 114 °C
Molecular Formula C9H10OS2
Molecular Weight 198.30500
Flash Point 183ºC
Exact Mass 198.01700
PSA 70.83000
LogP 2.87080
Vapour Pressure 3.35E-06mmHg at 25°C
Index of Refraction 1.675
Name: 4-(1 3-Dithiolan-2-yl)phenol 97% Material Safety Data Sheet
Synonym:
CAS: 22068-49-1
Section 1 - Chemical Product MSDS Name:4-(1 3-Dithiolan-2-yl)phenol 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
22068-49-1 4-(1,3-Dithiolan-2-yl)phenol 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. 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:
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# 22068-49-1: 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 114 - 116 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: C9H10OS2
Molecular Weight: 198

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 22068-49-1: SL3540500 LD50/LC50:
Not available.
Carcinogenicity:
4-(1,3-Dithiolan-2-yl)phenol - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 22068-49-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22068-49-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22068-49-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL3540500
CHEMICAL NAME :
Phenol, p-(1,3-dithiolan-2-yl)-
CAS REGISTRY NUMBER :
22068-49-1
BEILSTEIN REFERENCE NO. :
0141157
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H10-O-S2
MOLECULAR WEIGHT :
198.31
WISWESSER LINE NOTATION :
T5S CSTJ BR DQ

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 :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 17,235,1982
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2934999090

~98%

22068-49-1 structure

22068-49-1

Literature: Hajipour, Abdol Reza; Pourmousavi, Seied A.; Ruoho, Arnold E. Synthetic Communications, 2008 , vol. 38, # 15 p. 2548 - 2566

~85%

22068-49-1 structure

22068-49-1

Literature: Bandgar, Babasaheb P.; Uppalla, Lavkumar S.; Sadavarte, Vaibhav S.; Patil, Suresh V. New Journal of Chemistry, 2002 , vol. 26, # 10 p. 1273 - 1276

~97%

22068-49-1 structure

22068-49-1

Literature: Naik, Sarala; Gopinath, Rangam; Goswami, Mousumi; Patel, Bhisma K. Organic and Biomolecular Chemistry, 2004 , vol. 2, # 11 p. 1670 - 1677

~99%

22068-49-1 structure

22068-49-1

Literature: Naik, Sarala; Gopinath, Rangam; Goswami, Mousumi; Patel, Bhisma K. Organic and Biomolecular Chemistry, 2004 , vol. 2, # 11 p. 1670 - 1677

~91%

22068-49-1 structure

22068-49-1

Literature: Pourmousavi, Seied Ali; Hadavankhani, Majid; Zinati, Zahra E-Journal of Chemistry, 2011 , vol. 8, # SUPPL. 1 p. S495-S501

~91%

22068-49-1 structure

22068-49-1

Literature: Chankeshwara, Sunay V.; Chebolu, Rajesh; Chakraborti, Asit K. Journal of Organic Chemistry, 2008 , vol. 73, # 21 p. 8615 - 8618

~%

22068-49-1 structure

22068-49-1

Detail
Literature: Bulletin of the Chemical Society of Japan, , vol. 54, # 7 p. 2120 - 2123


HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%