Decyl thiocyanate

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Names

[ Name ]:
Decyl thiocyanate

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

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

MSDS

Click to get detail MSDS

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

1-Bromodecane
trioctylmethylammonium chloride
Potassium thiocyanate
methyl thiocyanate
1-Chlorodecane
1-iodo-Decane
benzyl thiocyanate

DownStream

1-iodo-Decane
benzyl thiocyanate
1-decanesulfonyl chloride
Decyl disulfide
1-Decanethiol
1-Chlorodecane

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%

Related Compounds

10-(3,7-dimethyloct-6-enoxy)decyl thiocyanate
10-(3,7-dimethylocta-2,6-dienoxy)decyl thiocyanate
decyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)
decyl-trimethyl-ammonium; hydroxide
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium,dibromide
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium,dibromide
2-(2-Phenylethyl)cyclobutan-1-ol
tert-butyl 6-((4-chloro-2-fluorobenzyl)oxy)-3',6'-dihydro-[2,4'-bipyridine]-1'(2'H)-carboxylate
2-(Prop-1-en-1-yl)cyclobutan-1-ol
2-(But-3-yn-2-yl)-6-chlorophenol
Methyl 4-(aminomethyl)-2-oxabicyclo[2.2.2]octane-1-carboxylate hydrochloride
2-Cyano-5,7-dimethyl-1-benzothiophene-3-sulfonyl chloride
O-[(4-bromo-5-chlorothiophen-2-yl)methyl]hydroxylamine
3,5-di(2H3)methoxybenzoicacid
2-{1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylpropanoyl]pyrrolidin-2-yl}acetic acid
3-(2,3-Difluorophenyl)but-3-en-1-amine

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