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111-31-9

111-31-9 structure
111-31-9 structure

Name 1-Hexanethiol
Synonyms 1-Mercaptohexane,Hexyl mercaptan,MCH
1-Hexanethiol
EINECS 203-857-0
Hexane-1-thiol
hexanethiol
Hexyl Mercaptan
MFCD00004909
n-hexanethiol
Density 0.8±0.1 g/cm3
Boiling Point 152.3±3.0 °C at 760 mmHg
Melting Point -81 °C
Molecular Formula C6H14S
Molecular Weight 118.240
Flash Point 20.6±0.0 °C
Exact Mass 118.081619
PSA 38.80000
LogP 3.37
Vapour Pressure 4.5±0.3 mmHg at 25°C
Index of Refraction 1.446
Water Solubility insoluble

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO4550000
CHEMICAL NAME :
1-Hexanethiol
CAS REGISTRY NUMBER :
111-31-9
BEILSTEIN REFERENCE NO. :
1731295
LAST UPDATED :
199709
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C6-H14-S
MOLECULAR WEIGHT :
118.26
WISWESSER LINE NOTATION :
SH6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1254 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Behavioral - coma
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1080 ppm/4H
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory stimulation Behavioral - somnolence (general depressed activity) Sense Organs and Special Senses (Eye) - lacrimation
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
396 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - ataxia Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
528 ppm/4H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 1-HEXANETHIOL-air:CL 0.5 ppm/15M REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992
Symbol GHS02 GHS06
GHS02, GHS06
Signal Word Danger
Hazard Statements H226-H302-H331
Precautionary Statements P261-P311
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R10;R20/22
Safety Phrases S23-S24/25-S16
RIDADR UN 1228 3/PG 2
WGK Germany 3
RTECS MO4550000
Packaging Group III
Hazard Class 3
HS Code 2930909090
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%