3-phenylpropane-1-thiol

Modify Date: 2024-01-10 09:33:37

3-phenylpropane-1-thiol Structure
3-phenylpropane-1-thiol structure
Common Name 3-phenylpropane-1-thiol
CAS Number 24734-68-7 Molecular Weight 152.25700
Density 0.996g/cm3 Boiling Point 242.2ºC at 760mmHg
Molecular Formula C9H12S Melting Point N/A
MSDS N/A Flash Point 90.6ºC

 Names

Name 3-phenylpropane-1-thiol
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.996g/cm3
Boiling Point 242.2ºC at 760mmHg
Molecular Formula C9H12S
Molecular Weight 152.25700
Flash Point 90.6ºC
Exact Mass 152.06600
PSA 38.80000
LogP 2.54900
Vapour Pressure 0.0535mmHg at 25°C
Index of Refraction 1.545

 MSDS

Name: 3-Phenylpropyl mercaptan 97% (gc) Material Safety Data Sheet
Synonym: 3-Phenyl-1-propanethio
CAS: 24734-68-7
Section 1 - Chemical Product MSDS Name:3-Phenylpropyl mercaptan 97% (gc) Material Safety Data Sheet
Synonym:3-Phenyl-1-propanethio

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
24734-68-7 3-Phenylpropyl mercaptan, 99% 99% 246-440-9
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Combustible liquid.The toxicological properties of this material have not been fully investigated.Stench.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Causes gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
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 if cough or other symptoms appear.
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. Will burn if involved in a fire.
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.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Keep away from sources of ignition. Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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.
Exposure Limits CAS# 24734-68-7: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
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: Liquid
Color: clear, colorless
Odor: Stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 109 deg C @ 10.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 90 deg C ( 194.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0100g/cm3
Molecular Formula: C9H12S
Molecular Weight: 152.25

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, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 24734-68-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Phenylpropyl mercaptan, 99% - 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# 24734-68-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24734-68-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24734-68-7 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 S26-S37/39
HS Code 2930909090

 Synthetic Route

~%

3-phenylpropane-1-thiol Structure

3-phenylpropane...

CAS#:24734-68-7

Literature: Hamilton, Gregory S.; Wu, Yong-Qian; Limburg, David C.; Wilkinson, Douglas E.; Vaal, Mark J.; Li, Jia-He; Thomas, Christine; Huang, Wei; Sauer, Hansjorg; Ross, Douglas T.; Soni, Raj; Chen, Yi; Guo, Hongshi; Howorth, Pamela; Valentine, Heather; Liang, Shi; Spicer, Dawn; Fuller, Mike; Steiner, Joseph P. Journal of Medicinal Chemistry, 2002 , vol. 45, # 16 p. 3549 - 3557

~91%

3-phenylpropane-1-thiol Structure

3-phenylpropane...

CAS#:24734-68-7

Literature: Anderson, M.B.; Ranasinghe, M.G.; Palmer, J.T.; Fuchs, P.L. Journal of Organic Chemistry, 1988 , vol. 53, # 13 p. 3125 - 3127

~82%

3-phenylpropane-1-thiol Structure

3-phenylpropane...

CAS#:24734-68-7

Literature: Anderson, M.B.; Ranasinghe, M.G.; Palmer, J.T.; Fuchs, P.L. Journal of Organic Chemistry, 1988 , vol. 53, # 13 p. 3125 - 3127

~99%

3-phenylpropane-1-thiol Structure

3-phenylpropane...

CAS#:24734-68-7

Literature: Iimura, Shinya; Manabe, Kei; Kobayashi, Shu Organic Letters, 2003 , vol. 5, # 2 p. 101 - 103

~%

3-phenylpropane-1-thiol Structure

3-phenylpropane...

CAS#:24734-68-7

Literature: Hamilton, Gregory S.; Wu, Yong-Qian; Limburg, David C.; Wilkinson, Douglas E.; Vaal, Mark J.; Li, Jia-He; Thomas, Christine; Huang, Wei; Sauer, Hansjorg; Ross, Douglas T.; Soni, Raj; Chen, Yi; Guo, Hongshi; Howorth, Pamela; Valentine, Heather; Liang, Shi; Spicer, Dawn; Fuller, Mike; Steiner, Joseph P. Journal of Medicinal Chemistry, 2002 , vol. 45, # 16 p. 3549 - 3557

~%

3-phenylpropane-1-thiol Structure

3-phenylpropane...

CAS#:24734-68-7

Literature: Anderson, M.B.; Ranasinghe, M.G.; Palmer, J.T.; Fuchs, P.L. Journal of Organic Chemistry, 1988 , vol. 53, # 13 p. 3125 - 3127

~%

3-phenylpropane-1-thiol Structure

3-phenylpropane...

CAS#:24734-68-7

Literature: v. Braun Chemische Berichte, 1912 , vol. 45, p. 1564

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

3-phenylpropylmercaptan
3-phenyl-propane-1-thiol
EINECS 246-440-9
3-phenylpropanethiol
3-phenylpropylthiol
Benzenepropanethiol
phenylpropyl mercaptan