CAS 115-31-1|Acetic acid,2-thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, re

Introduction:Basic information about CAS 115-31-1|Acetic acid,2-thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, re, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameAcetic acid,2-thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
CAS Number115-31-1Molecular Weight253.36000
Density1.15g/cm3Boiling Point340.5ºC at 760mmHg
Molecular FormulaC13H19NO2SMelting Point−48 °C(lit.)
MSDS/Flash Point159.7ºC

Names

Nameisobornyl thiocyanoacetate
SynonymMore Synonyms

Chemical & Physical Properties

Density1.15g/cm3
Boiling Point340.5ºC at 760mmHg
Melting Point−48 °C(lit.)
Molecular FormulaC13H19NO2S
Molecular Weight253.36000
Flash Point159.7ºC
Exact Mass253.11400
PSA75.39000
LogP2.95868
Vapour Pressure8.59E-05mmHg at 25°C
Index of Refraction1.533
InChIKeyIXEVGHXRXDBAOB-BREBYQMCSA-N
SMILESCC1(C)C2CCC1(C)C(OC(=O)CSC#N)C2

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ6300000
CHEMICAL NAME :
Acetic acid, thiocyanato-, isobornyl ester
CAS REGISTRY NUMBER :
115-31-1
LAST UPDATED :
199701
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C13-H19-N-O2-S
MOLECULAR WEIGHT :
253.39
WISWESSER LINE NOTATION :
L55 ATJ A1 A1 B1 COV1SCN

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 :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 37,1323,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
140 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 :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
630 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 82,377,1944
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
6 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
WRPCA2 World Review of Pest Control. (London, UK) V.1-10, 1962-71. Discontinued. Volume(issue)/page/year: 9,119,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
551 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C300,1991 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 mL/kg/5D-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 82,377,1944 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M4285 No. of Facilities: 308 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 6464 (estimated)

Safety Information

Hazard CodesXn,N
Risk Phrases22-50/53
Safety Phrases24/25-60-61
RIDADRUN 3390 6.1/PG 1
WGK Germany3
RTECSEM4900000
Packaging GroupI
Hazard Class8

Synonyms

IBTA
Cidalon
Bornate
ent92
Thanisol
THANITE
Terpinyl
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