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100-53-8

100-53-8 structure
100-53-8 structure

Name Benzyl mercaptan
Synonyms TOLUENETHIOL
mercaptomethylbenzene
benzylmercaptan
FEMA 2147
Alpha-Toluenethiol
phenylmethylthiol
Benzyl mercaptan
Thiobenzyl Alcohol
α-toluenethiol
EINECS 202-862-5
benzyl thiol
usafex-1509
toluene-a-thiol
phenyl methanethiol
A-TOLUENETHIOL
usafek-1509
Benzenemethanethiol
benzenemethane-thiol
MFCD00004867
phenylmethylmercaptan
Phenylmethanethiol
benzylthiol
Density 1.0±0.1 g/cm3
Boiling Point 195.3±9.0 °C at 760 mmHg
Melting Point -29 °C
Molecular Formula C7H8S
Molecular Weight 124.203
Flash Point 70.0±0.0 °C
Exact Mass 124.034668
PSA 38.80000
LogP 2.74
Vapour density >4 (vs air)
Vapour Pressure 0.6±0.4 mmHg at 25°C
Index of Refraction 1.566
Stability Stable. Combustible.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT8650000
CHEMICAL NAME :
alpha-Toluenethiol
CAS REGISTRY NUMBER :
100-53-8
BEILSTEIN REFERENCE NO. :
0605864
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C7-H8-S
MOLECULAR WEIGHT :
124.21
WISWESSER LINE NOTATION :
SH1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
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 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
493 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 :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
373 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 - mouse
DOSE/DURATION :
178 ppm/4H
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 :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
16 gm/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
REFERENCE :
AJCAA7 American Journal of Cancer. (New York, NY) V.15-40, 1931-40. For publisher information, see CNREA8. Volume(issue)/page/year: 15,2149,1931 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T0905 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)
Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H302-H330
Precautionary Statements P260-P301 + P312 + P330-P304 + P340 + P310-P403 + P233
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T:Toxic
Risk Phrases R22;R23;R50/53
Safety Phrases S23-S26-S36/37/39-S45-S61-S60
RIDADR 2810
WGK Germany 3
RTECS XT8650000
Packaging Group III
Hazard Class 6.1
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%