1-Isothiocyanatooctadecane

Modify Date: 2024-01-04 21:30:12

1-Isothiocyanatooctadecane Structure
1-Isothiocyanatooctadecane structure
Common Name 1-Isothiocyanatooctadecane
CAS Number 2877-26-1 Molecular Weight 311.569
Density 0.9±0.1 g/cm3 Boiling Point 370.3±5.0 °C at 760 mmHg
Molecular Formula C19H37NS Melting Point 29-33 °C
MSDS N/A Flash Point 188.8±25.4 °C

 Names

Name Octadecyl isothiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 370.3±5.0 °C at 760 mmHg
Melting Point 29-33 °C
Molecular Formula C19H37NS
Molecular Weight 311.569
Flash Point 188.8±25.4 °C
Exact Mass 311.264679
PSA 44.45000
LogP 9.97
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.483

 MSDS

Name: Octadecyl Isothiocyanate (Pract) Material Safety Data Sheet
Synonym: None
CAS: 2877-26-1
Section 1 - Chemical Product MSDS Name:Octadecyl Isothiocyanate (Pract) Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2877-26-1 Octadecane, 1-Isothiocyanato- ca 100 220-722-1
Hazard Symbols: XI
Risk Phrases: 36/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:
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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 2877-26-1: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid above room te
Color: white to off-white
Odor: Not available.pbr/> pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 24.00 - 28.00 deg C
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C19H37NS
Molecular Weight: 311.57

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2877-26-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Octadecane, 1-Isothiocyanato- - 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 36/38 Irritating to eyes and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable 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# 2877-26-1: No information available.
Canada
CAS# 2877-26-1 is listed on Canada's NDSL List.
CAS# 2877-26-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2877-26-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S36/37/39-S26
HS Code 2930909090

 Synthetic Route

~61%

1-Isothiocyanatooctadecane Structure

1-Isothiocyanat...

CAS#:2877-26-1

Literature: Barton, Derek H. R.; Bringmann, Gerhard; Lamotte, Genevieve; Motherwell, William B.; Motherwell, Robyn S. Hay; Porter, Alexander E. A. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980 , p. 2657 - 2664

~%

1-Isothiocyanatooctadecane Structure

1-Isothiocyanat...

CAS#:2877-26-1

Literature: Schmidt; Fehr Justus Liebigs Annalen der Chemie, 1959 , vol. 621, p. 1,7

 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

N-OCTADECYL ISOTHIOCYANATE
Octadecane,1-isothiocyanato
1-isothiocyanato-octadecan
1-Isothiocyanatooctadecane
Octadecylsenfoel
Stearylisothiocyanat
Octadecane, 1-isothiocyanato-
1-isothiocyanato-octadecane
Octadecyl-isothiocyanat
EINECS 220-722-1
MFCD00041124