3-methoxypropyl isothiocyanate

Modify Date: 2024-01-10 09:30:00

3-methoxypropyl isothiocyanate Structure
3-methoxypropyl isothiocyanate structure
Common Name 3-methoxypropyl isothiocyanate
CAS Number 17702-11-3 Molecular Weight 131.19600
Density 1.03 Boiling Point 102 °C (35 mmHg)
Molecular Formula C5H9NOS Melting Point N/A
MSDS N/A Flash Point 77 °C

 Names

Name 1-isothiocyanato-3-methoxypropane
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.03
Boiling Point 102 °C (35 mmHg)
Molecular Formula C5H9NOS
Molecular Weight 131.19600
Flash Point 77 °C
Exact Mass 131.04000
PSA 53.68000
LogP 1.12570
Vapour Pressure 0.538mmHg at 25°C
Index of Refraction 1.501-1.503

 MSDS

Name: 3-Methoxypropylisothiocyanate Material Safety Data Sheet
Synonym:
CAS: 17702-11-3
Section 1 - Chemical Product MSDS Name:3-Methoxypropylisothiocyanate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17702-11-3 3-Methoxypropylisothiocyanate unlisted
Hazard Symbols: XI
Risk Phrases: 36/37

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes and respiratory system.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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:
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.
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# 17702-11-3: 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: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 102 deg C @ 35.00mm
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 77 deg C ( 170.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 131.20

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 nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17702-11-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Methoxypropylisothiocyanate - 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
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: XI
Risk Phrases:
R 36/37 Irritating to eyes and respiratory system.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 39 Wear eye/face protection.
WGK (Water Danger/Protection)
CAS# 17702-11-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17702-11-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17702-11-3 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
Risk Phrases R36/37
Safety Phrases S39-S26
RIDADR 2810
Packaging Group III
Hazard Class 8
HS Code 2930909090

 Synthetic Route

~33%

3-methoxypropyl isothiocyanate Structure

3-methoxypropyl...

CAS#:17702-11-3

Literature: Gelder, Joel M. Van; Klein, Joseph Y.; Basel, Yochai; Reizelman, Anat; Tchilibon, Susanna; Mouallem, Orly Patent: US2008/39456 A1, 2008 ; Location in patent: Page/Page column 53 ;

~%

3-methoxypropyl isothiocyanate Structure

3-methoxypropyl...

CAS#:17702-11-3

Literature: Journal of Medicinal Chemistry, , vol. 48, # 7 p. 2509 - 2517

 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-methoxypropanisothiocyanate
1-isothiocyanato-3-methoxy-propane
3-METHOXYPROPYL ISOTHIOCYANATE
3-Methoxy-n-propyl isothiocyanate
MFCD00022063
3-Methoxy-propylisothiocyanat
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