3-Mercapto-β,4-dimethylcyclohexaneethanethiol
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3-Mercapto-β,4-dimethylcyclohexaneethanethiol
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CAS No:
4802-20-4
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Formula:
C10H20S2
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Chemical Name:
3-Mercapto-β,4-dimethylcyclohexaneethanethiol
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Synonyms:
Cyclohexaneethanethiol,3-mercapto-β,4-dimethyl-;p-Menthane-2,9-dithiol;3-Mercapto-β,4-dimethylcyclohexaneethanethiol;Dipentenedimercaptan;Limonene dimercaptan;2,9-Dimercapto-p-menthane;NSC 48040;NSC 80673;2-(4-Methyl-3-sulfanylcyclohexyl)propane-1-thiol;2-Methyl-5-(1-sulfanylpropan-2-yl)cyclohexane-1-thiol;7487-31-2;31354-96-8
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CAS No:
Description
PHYSICAL DESCRIPTION: Pale yellow liquid. (NTP, 1992)
D-limonene dimercaptan is a pale yellow liquid. (NTP, 1992)
D-limonene dimercaptan is a pale yellow liquid. (NTP, 1992)
3-Mercapto-β,4-dimethylcyclohexaneethanethiol Basic Attributes
204.4
204.40
225-363-4
6VT7ZT00C5
80673|48040
DTXSID2025501
Characteristics
2
3.28690
D-limonene dimercaptan is a pale yellow liquid. (NTP, 1992)
1.0326 g/cm3 @ Temp: 14 °C
121-125 °C @ Press: 4 Torr
greater than 250° F (NTP, 1992)
1.511
Slightly soluble (NTP, 1992)
less than 0.1 mm Hg at 100° F (NTP, 1992)
7.04 (NTP, 1992) (Relative to Air)
Slightly water soluble (NTP, 1992).
Sulfides, Organic
Organosulfides, such as D-LIMONENE DIMERCAPTAN, are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. This compound can react with strong oxidizers. (NTP, 1992)
Safety Information
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501
H302
This chemical is combustible. (NTP, 1992)
|Warning|H302 (34.07%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 179 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Drug Information
SYMPTOMS: Symptoms of exposure to this compound may include nausea, vomiting and mild irritation of the skin, eyes and mucous membranes. ACUTE/CHRONIC HAZARDS: This chemical is an irritant. (NTP, 1992)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
limonene dimercaptan
3-Mercapto-β,4-dimethylcyclohexaneethanethiol Use and Manufacturing
Cyclohexaneethanethiol, 3-mercapto-.beta.,4-dimethyl-: ACTIVE
Computed Properties
Molecular Weight:204.4
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:204.10064299
Monoisotopic Mass:204.10064299
Topological Polar Surface Area:2
Heavy Atom Count:12
Complexity:136
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Mercapto-β,4-dimethylcyclohexaneethanethiol
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