Dodecanoic acid,2-thiocyanatoethyl ester

Modify Date: 2025-08-26 16:47:24

Dodecanoic acid,2-thiocyanatoethyl ester Structure
Dodecanoic acid,2-thiocyanatoethyl ester structure
Common Name Dodecanoic acid,2-thiocyanatoethyl ester
CAS Number 301-11-1 Molecular Weight 285.44500
Density 0.994g/cm3 Boiling Point 393.9ºC at 760mmHg
Molecular Formula C15H27NO2S Melting Point N/A
MSDS N/A Flash Point 192ºC

 Names

Name 2-thiocyanatoethyl dodecanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.994g/cm3
Boiling Point 393.9ºC at 760mmHg
Molecular Formula C15H27NO2S
Molecular Weight 285.44500
Flash Point 192ºC
Exact Mass 285.17600
PSA 75.39000
LogP 4.66478
Index of Refraction 1.477
InChIKey DXTLBEQSVNRVKT-UHFFFAOYSA-N
SMILES CCCCCCCCCCCC(=O)OCCSC#N

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OF0875000
CHEMICAL NAME :
Lauric acid, 2-thiocyanatoethyl ester
CAS REGISTRY NUMBER :
301-11-1
BEILSTEIN REFERENCE NO. :
1794076
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C15-H27-N-O2-S
MOLECULAR WEIGHT :
285.49
WISWESSER LINE NOTATION :
NCS2OV11

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARSIM* Agricultural Research Service, USDA Information Memorandum. (Beltsville, MD 20705) Volume(issue)/page/year: 20,13,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4300 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
INMEAF Industrial Medicine. (Chicago, IL) V.1-18, 1932-49. For publisher information, see IOHSA5. Volume(issue)/page/year: 11,-,1942
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971 Volume(issue)/page/year: -,257,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AFDOAQ Quarterly Bulletin--Association of Food and Drug Officials of the United States. (Denver, CO) V.3-38, 1939-74. Volume(issue)/page/year: 16,3,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1480 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
INMEAF Industrial Medicine. (Chicago, IL) V.1-18, 1932-49. For publisher information, see IOHSA5. Volume(issue)/page/year: 11,-,1942

 Safety Information

RIDADR UN 2902
Packaging Group III
Hazard Class 6.1(b)
HS Code 2930909090

 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

ENT 5
Lethane 384 special
1-Lauroyloxy-2-thiocyanato-aethan
LETHANE 60
(2-Thiocyanato-aethyl)-laurat
2-Thiocyanoethyl coconate
2-Thiocyanatoethyl laurate
2-Thiocyanoethyl dodecanoate
Lauric acid,2-thiocyanatoethyl ester
Caswell No. 085
2-Thiocyanoethyl laurate
1-lauroyloxy-2-thiocyanato-ethane
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