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629-12-9

629-12-9 structure
629-12-9 structure
  • Name: pentyl isothiocyanate
  • Chemical Name: pentyl isothiocyanate
  • CAS Number: 629-12-9
  • Molecular Formula: C6H11NS
  • Molecular Weight: 129.22300
  • Create Date: 2018-05-26 08:00:00
  • Modify Date: 2024-01-09 09:43:26

Name pentyl isothiocyanate
Synonyms 1-isothiocyanatopentane
EINECS 211-075-6
MFCD00014444
Density 0.93
Boiling Point 95 °C
Molecular Formula C6H11NS
Molecular Weight 129.22300
Flash Point 32°C
Exact Mass 129.06100
PSA 44.45000
LogP 2.27940
Index of Refraction 1.4965
Name: Pentyl isothiocyanate 95+% Material Safety Data Sheet
Synonym: n-Amylisothiocyanat
CAS: 629-12-9
Section 1 - Chemical Product MSDS Name:Pentyl isothiocyanate 95+% Material Safety Data Sheet
Synonym:n-Amylisothiocyanat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
629-12-9 Pentyl isothiocyanate 95+% 211-075-6
Hazard Symbols: C
Risk Phrases: 20/21/22 34

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.

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# 629-12-9: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 117 - 119 deg C @70mmHg
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: 0.93
Molecular Formula: C6H11NS
Molecular Weight: 129

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Bases, amines, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 629-12-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Pentyl isothiocyanate - 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: CORROSIVE LIQUID, TOXIC, N.O.S.*
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 34 Causes burns.
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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 629-12-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 629-12-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 629-12-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Risk Phrases R10
Safety Phrases S26-S36/37/39
RIDADR 3080
Packaging Group III
Hazard Class 8

~90%

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629-12-9

Literature: The Green Cross Corporation Patent: US5750545 A1, 1998 ;

~61%

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Literature: Munch, Henrik; Hansen, Jon S.; Pittelkow, Michael; Christensen, Jorn B.; Boas, Ulrik Tetrahedron Letters, 2008 , vol. 49, # 19 p. 3117 - 3119

~88%

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629-12-9

Literature: Kim; Song; Ryu Synthetic Communications, 1994 , vol. 24, # 8 p. 1101 - 1105

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629-12-9

Literature: Tetrahedron Letters, , vol. 38, # 9 p. 1597 - 1598

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629-12-9

Literature: Medicinal Chemistry Research, , vol. 22, # 7 p. 3119 - 3125

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Literature: Medicinal Chemistry Research, , vol. 22, # 7 p. 3119 - 3125

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Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 45, p. 422 Chem. News J. Ind. Sci., , vol. 134, p. 5 Chem. Zentralbl., , vol. 98, # I p. 1300