Decyl thiocyanate

Modify Date: 2025-08-27 20:08:20

Decyl thiocyanate Structure
Decyl thiocyanate structure
Common Name Decyl thiocyanate
CAS Number 5349-20-2 Molecular Weight 199.35600
Density 1.608g/cm3 Boiling Point 499.4ºC at 760 mmHg
Molecular Formula C11H21NS Melting Point N/A
MSDS N/A Flash Point 255.9ºC

 Use of Decyl thiocyanate


Decyl thiocyanate is a biochemical.

 Names

Name decyl thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.608g/cm3
Boiling Point 499.4ºC at 760 mmHg
Molecular Formula C11H21NS
Molecular Weight 199.35600
Flash Point 255.9ºC
Exact Mass 199.13900
PSA 49.09000
LogP 4.34138
Index of Refraction 1.709
InChIKey SSHHEEVAWJSEPF-UHFFFAOYSA-N
SMILES CCCCCCCCCCSC#N

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK9000000
CHEMICAL NAME :
Thiocyanic acid, decyl ester
CAS REGISTRY NUMBER :
5349-20-2
BEILSTEIN REFERENCE NO. :
1763550
LAST UPDATED :
199712
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C11-H21-N-S
MOLECULAR WEIGHT :
199.39
WISWESSER LINE NOTATION :
NCS10

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1351 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
104 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
4550 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5406 mg/kg/2W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - conjunctive irritation Related to Chronic Data - death
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
13515 mg/kg/6D-I
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - irritability Lungs, Thorax, or Respiration - other changes
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936

 Safety Information

HS Code 2930909090

 Synthetic Route

~%

Decyl thiocyanate Structure

Decyl thiocyanate

CAS#:5349-20-2

Literature: Continental Oil Company Patent: US3992432 A1, 1976 ;

~%

Decyl thiocyanate Structure

Decyl thiocyanate

CAS#:5349-20-2

Literature: Allen Journal of the American Chemical Society, 1935 , vol. 57, p. 198

~5%

Decyl thiocyanate Structure

Decyl thiocyanate

CAS#:5349-20-2

Literature: Ohtani, Noritaka; Murakawa, Shigeki; Watanabe, Kohji; Tsuchimoto, Daisuke; Sato, Daiki Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 9 p. 1851 - 1856

~99%

Decyl thiocyanate Structure

Decyl thiocyanate

CAS#:5349-20-2

Literature: Ohtani, Noritaka; Murakawa, Shigeki; Watanabe, Kohji; Tsuchimoto, Daisuke; Sato, Daiki Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 9 p. 1851 - 1856

~98%

Decyl thiocyanate Structure

Decyl thiocyanate

CAS#:5349-20-2

Literature: Ohtani, Noritaka; Murakawa, Shigeki; Watanabe, Kohji; Tsuchimoto, Daisuke; Sato, Daiki Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 9 p. 1851 - 1856

~%

Decyl thiocyanate Structure

Decyl thiocyanate

CAS#:5349-20-2

Literature: Ohtani, Noritaka; Murakawa, Shigeki; Watanabe, Kohji; Tsuchimoto, Daisuke; Sato, Daiki Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 9 p. 1851 - 1856

 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%

 Synonyms

decylsulfanyl cyanate
Decylrhodanid
1-thiocyanodecane
n-DECYL THIOCYANATE
Decylthiocyanat
decylthiocyanate
Thiocyanic acid,decyl ester
Decane,1-thiocyanato
Thiocyansaeure-decylester
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