1-Heptanethiol
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1-Heptanethiol
structure -
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CAS No:
1639-09-4
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Formula:
C7H16S
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Chemical Name:
1-Heptanethiol
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Synonyms:
1-Heptanethiol;Heptyl mercaptan;n-Heptyl mercaptan;Heptylthiol;1-Mercaptoheptane;n-Heptanethiol;n-Heptylthiol;1-Heptylthiol;NSC 71119
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CAS No:
Description
clear liquid 1-Heptanethiol is a flammable, colorless liquid with a strong odor. Colorless liquid, onion aroma.Colorless liquid with a strong unpleasant odor. Mp: -41.3°C; bp: 177°C. Density: 0.84 g cm-3. Insoluble in water.
1-heptanethiol is a colorless liquid with a strong unpleasant odor. Mp: -41.3°C; bp: 177°C. Density: 0.84 g cm-3. Insoluble in water.|Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|Colourless liquid; Onion aroma|Colorless liquid with a strong odor.
1-heptanethiol is a colorless liquid with a strong unpleasant odor. Mp: -41.3°C; bp: 177°C. Density: 0.84 g cm-3. Insoluble in water.|Heptane-1-thiol is an alkanethiol.
1-Heptanethiol Basic Attributes
132.27
132.27
1731687
216-678-8
380ZE61GR2
1619
71119
1228|3336
DTXSID3061841
29309070
Characteristics
1
3.7
COLOURLESS LIQUID , WITH CHARACTERISTIC ODOUR.
0.8399 g/cm3 @ Temp: 25 °C
-43 °C
177 °C
115 °F
n 20/D 1.4505(lit.)
0.009g/l
Store below +30°C.
Vapour pressure, kPa at 25°C: 0.17
Relative vapour density (air = 1): 4.6
Abdominal cavity-mouse LD50: 200 mg/kg
It is flammable in case of open flame, high temperature and oxidant; it produces toxic sulfur oxide fumes in combustion; it produces toxic sulfide gas in acid and water
0.9%(V)
No rapid reaction with air No rapid reaction with water
Sulfides, Organic
1-HEPTANETHIOL is combustible (flash point at or above 100°F and below 140°F). Incompatible with oxidizing agents, strong acids and strong bases, alkali metals, and nitric acid. Can react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with powerful oxidizing agents such as calcium hypochlorite (Ca(OCl)2) to generate SOx. Reacts with hydrides to form flammable H2 gas; reacts with halogenated hydrocarbons to yield HX. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition.
Class II Combustible Liquid: Fl.P. at or above 100°F and below 140°F.
The vapour is heavier than air and may travel along the ground; distant ignition possible.
Safety Information
II
6.1
UN 3336 3/PG 3
3
10
23-16
MJ1400000
The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids
Stable at room temperature in closed containers under normal storage and handling conditions.
P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P313, P362, P370+P378, P403+P235, P501
H226
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)|Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 46 °C explosive vapour/air mixtures may be formed.|Flammable - 2nd degree
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 154 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. LARGE FIRE: Water spray, fog or alcohol-resistant foam. Move containers from fire area if you can do it without risk. Dike fire-control water for later disposal; do not scatter the material. Use water spray or fog; do not use straight streams. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)|Use water spray, powder, alcohol-resistant foam, carbon dioxide.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: Fully encapsulating, vapor-protective clothing should be worn for spills and leaks with no fire. ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. SMALL SPILL: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)
Skin: Wear appropriate personal protective clothing to prevent skin contact. Eyes: Wear appropriate eye protection to prevent eye contact. Wash skin: The worker should immediately wash the skin when it becomes contaminated. Remove: Work clothing that becomes wet or significantly contaminated should be removed and replaced. Change: No recommendation is made specifying the need for the worker to change clothing after the work shift. (NIOSH, 2016)|(See protection codes)
Explosive limits , vol% in air: 0.9-?
Remove all ignition sources. Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.
Fireproof. Separated from strong oxidants, strong bases and strong acids.
No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
The substance is irritating to the eyes, skin and respiratory tract. Exposure at high levels could cause lowering of consciousness.
NO open flames, NO sparks and NO smoking. Above 46 °C use a closed system, ventilation and explosion-proof electrical equipment.
Use ventilation, local exhaust or breathing protection.
Protective gloves.
Wear safety spectacles.
Drug Information
Exposure Routes: inhalation, ingestion, skin and/or eye contact Symptoms: Irritation eyes, skin, nose, throat; lassitude (weakness, exhaustion), cyanosis, increased respiration, nausea, drowsiness, headache, vomiting Target Organs: Eyes, skin, respiratory system, central nervous system, blood (NIOSH, 2016)
Eye: If this chemical contacts the eyes, immediately wash the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Contact lenses should not be worn when working with this chemical. Skin: If this chemical contacts the skin, wash the contaminated skin with soap and water. Breathing: If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform mouth-to-mouth resuscitation. Keep the affected person warm and at rest. Get medical attention as soon as possible. Swallow: If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2016)|(See procedures)
Fresh air, rest.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
The substance can be absorbed into the body by inhalation and by ingestion.|inhalation, ingestion, skin and/or eye contact
irritation eyes, skin, nose, throat; lassitude (weakness, exhaustion), cyanosis, increased respiration, nausea, drowsiness, headache, vomiting
Dizziness. Drowsiness. Headache. Nausea.
Redness. Pain.
Redness. Pain.
Eyes, skin, respiratory system, central nervous system, blood
1-Heptanethiol Use and Manufacturing
Flavoring Agents -> JECFA Flavorings Index
1-Heptanethiol: ACTIVE
Food additives -> Flavoring Agents|Fire Hazards -> Flammable - 2nd degree
Flavoring Agents
Computed Properties
Molecular Weight:132.27
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:132.09727168
Monoisotopic Mass:132.09727168
Topological Polar Surface Area:1
Heavy Atom Count:8
Complexity:35.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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