Thiocyanic acid,dodecyl ester

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Names

[ CAS No. ]:
765-15-1

[ Name ]:
Thiocyanic acid,dodecyl ester

[Synonym ]:
Lauryl rhodanate
Lorol thiocyanate
MFCD00019773
LORO
1-Dodecyl thiocyanate
Thiocyanic acid,dodecyl ester
Dodecylthiocyanat
Dodecane,1-thiocyanato
Lauryl thiocyanate
n-dodecyl thiocyante
Laurylrhodanide
n-Dodecyl thiocyanate
Dodecylrhodanid
EINECS 212-142-2
Thiocyansaeure-dodecylester

Chemical & Physical Properties

[ Density]:
0.896

[ Boiling Point ]:
180ºC 18mm

[ Molecular Formula ]:
C13H25NS

[ Molecular Weight ]:
227.40900

[ Exact Mass ]:
227.17100

[ PSA ]:
49.09000

[ LogP ]:
5.12158

[ Index of Refraction ]:
1.468

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK9625000
CHEMICAL NAME :
Thiocyanic acid, dodecyl ester
CAS REGISTRY NUMBER :
765-15-1
BEILSTEIN REFERENCE NO. :
1770396
LAST UPDATED :
199712
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C13-H25-N-S
MOLECULAR WEIGHT :
227.45
WISWESSER LINE NOTATION :
NCS12

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
REFERENCE :
JPBAA7 Journal of Pathology and Bacteriology. (London, UK) V.1-96, 1892-1968. For publisher information, see JPTLAS. Volume(issue)/page/year: 49,363,1939 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 4,205,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
933 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
17860 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
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 :
1786 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 :
16074 mg/kg/2W-I
TOXIC EFFECTS :
Liver - other changes Kidney, Ureter, Bladder - other changes Blood - changes in spleen
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 :
13395 mg/kg/6D-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Lungs, Thorax, or Respiration - other changes 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

Safety Information

[ Risk Phrases ]:
R22;R32;R36/38

[ Safety Phrases ]:
S26-S36/37/39

[ RTECS ]:
XK9625000

[ HS Code ]:
2930909090

Synthetic Route

Precursor & DownStream

Precursor

  • 1-Dodecanethiol
  • Potassium thiocyanate
  • 1-Bromododecane
  • 1-Dodecanol
  • Sodium thiocyanate
  • 1-Chlorododecane
  • Sodium cyanide

DownStream

  • S-dodecyl dodecanethioate
  • 1-Dodecanethiol
  • didodecyl disulfide
  • 1-dodecylsulfanylmethylbenzene
  • 1-prop-2-enylsulfanyldodecane

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

  • Phosphoric acid, dodecyl ester, sodium salt
  • Methanesulfonic acid,dodecyl ester
  • Phosphoric acid, dodecyl ester, ammonium salt
  • Carbamodithioic acid,dodecyl ester
  • pentanedioic acid dodecyl ester 2-nitro-5-(piperidin-1-yl)benzyl ester
  • pentanedioic acid dodecyl ester methyl ester