Isobutanethiol

Names

[ CAS No. ]:
513-44-0

[ Name ]:
Isobutanethiol

[Synonym ]:
2-Methyl-1-propanethiol
Isobutyl Mercaptan
Isobutylmercaptan
2-Methylpropane-1-thiol
1-ISOBUTANETHIOL
Isobutanethiol
1-Propanethiol, 2-methyl-
2-methylpropanethiol
MFCD00004882
Isobutyl thiol
EINECS 208-162-6

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
86.6±8.0 °C at 760 mmHg

[ Melting Point ]:
-145°C

[ Molecular Formula ]:
C₄H₁₀S

[ Molecular Weight ]:
90.187

[ Flash Point ]:
-9.4±0.0 °C

[ Exact Mass ]:
90.050323

[ PSA ]:
38.80000

[ LogP ]:
2.13

[ Vapour density ]:
3.1 (vs air)

[ Vapour Pressure ]:
74.1±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.435

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TZ7630000

CHEMICAL NAME :: 1-Propanethiol, 2-methyl-

CAS REGISTRY NUMBER :: 513-44-0

BEILSTEIN REFERENCE NO. :: 1730890

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C4-H10-S

MOLECULAR WEIGHT :: 90.20

WISWESSER LINE NOTATION :: SH1Y1&1

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 :: 7168 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 :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 917 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - excitement 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

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H315-H319-H335

[ Precautionary Statements ]:
P210-P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F: Flammable;Xi: Irritant;

[ Risk Phrases ]:
R11

[ Safety Phrases ]:
S16-S26-S36

[ RIDADR ]:
UN 2347 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
TZ7630000

[ Packaging Group ]:
II

[ Hazard Class ]:
3.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

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