*** CHEMICAL IDENTIFICATION ***
RTECS NUMBER : NX8225000
CHEMICAL NAME : Isothiocyanic acid, allyl ester
CAS REGISTRY NUMBER : 57-06-7
OTHER CAS REGISTRY NOS. : 58391-87-0
BEILSTEIN REFERENCE NO. : 0773748
REFERENCE : 4-04-00-01081 (Beilstein Handbook Reference)
LAST UPDATED : 199706
DATA ITEMS CITED : 36
MOLECULAR FORMULA : C4-H5-N-S
MOLECULAR WEIGHT : 99.16
WISWESSER LINE NOTATION : SCN2U1
COMPOUND DESCRIPTOR : Agricultural Chemical
Tumorigen
Mutagen
Reproductive Effector
Primary Irritant
SYNONYMS/TRADE NAMES :
* Allyl isorhodanide
* Allyl isosulfocyanate
* Allyl isosulphocyanate
* Allyl isothiocyanate
* Allylisothiokyanat
* Allyl mustard oil
* Allylsenevol
* Allylsenfoel
* Allyl sevenolum
* Allyl thiocarbonimide
* Artificial mustard oil
* Artificial oil of mustard
* Carbospol
* FEMA No. 2034
* Isothiocyanate d'allyle
* 3-Isothiocyanato-1-propene
* Mustard oil
* NCI-C50464
* Oil of mustard, artificial
* Oil of mustard BPC 1949
* Oleum sinapis volatile
* Propene, 3-isothiocyanato-
* 2-Propenyl isothiocyanate
* Redskin
* Senf oel
* Synthetic mustard oil
* Volatile oil of mustard
*** HEALTH HAZARD DATA ***
** SKIN/EYE IRRITATION DATA **
TYPE OF TEST : Standard Draize test
ROUTE OF EXPOSURE : Administration into the eye
SPECIES OBSERVED : Rodent - rabbit
DOSE/DURATION : 2 mg
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher
information, see NSAPCC. Volume(issue)/page/year: 219,119,1953
** ACUTE TOXICITY DATA **
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 112 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes
Gastrointestinal - other changes
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher
information, see NSAPCC. Volume(issue)/page/year: 219,119,1953
TYPE OF TEST : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 80 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 16,870,1966
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 92 mg/kg
TOXIC EFFECTS :
Behavioral - coma
Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For
publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 308 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMRL** Aerospace Medical Research Laboratory Report. (Aerospace Technical
Div., Air Force Systems Command, Wright-Patterson Air Force Base, OH 45433)
Volume(issue)/page/year: TR-73-83,1973
TYPE OF TEST : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 4 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
23,288,1972
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 80 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 5,505,1955
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Administration onto the skin
SPECIES OBSERVED : Rodent - rabbit
DOSE/DURATION : 88 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
42,417,1977
TYPE OF TEST : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rabbit
DOSE/DURATION : 12 mg/kg
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity
Lungs, Thorax, or Respiration - other changes
Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
BIJOAK Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce
Way, Colchester, Essex CO2 8HP, UK) V.1- 1906- Volume(issue)/page/year:
4,107,1909
** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 5600 mg/kg/14D-C
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
Skin and Appendages - hair
Related to Chronic Data - death
REFERENCE :
NTPTR* National Toxicology Program Technical Report Series. (Research
Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-234,1982
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 300 mg/kg/3D-I
TOXIC EFFECTS :
Liver - changes in liver weight
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation,
etc.)
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 44,65,1988
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 700 mg/kg/14D-C
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
NTPTR* National Toxicology Program Technical Report Series. (Research
Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-234,1982
** TUMORIGENIC DATA **
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 12875 mg/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria
Kidney, Ureter, Bladder - tumors
REFERENCE :
NTPTR* National Toxicology Program Technical Report Series. (Research
Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-234,1982
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Administration onto the skin
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 12 gm/kg/12W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Tumorigenic - increased incidence of tumors in susceptible strains
Tumorigenic - facilitates action of known carcinogen
REFERENCE :
AICCA6 Acta Unio Internationalis Contra Cancrum. (Louvain, Belgium) V.1-20,
1936-64. For publisher information, see IJCNAW. Volume(issue)/page/year:
11,699,1955
** REPRODUCTIVE DATA **
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - rat
DOSE : 100 mg/kg
SEX/DURATION : female 8-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For
publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - rat
DOSE : 200 mg/kg
SEX/DURATION : female 8-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For
publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980
** MUTATION DATA **
TYPE OF TEST : Mutation in microorganisms
TEST SYSTEM : Bacteria - Salmonella typhimurium
DOSE/DURATION : 100 ug/plate
REFERENCE :
ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050,
Tokyo International, Tokyo 100-31, Japan) V.25- 1961-
Volume(issue)/page/year: 44,3017,1980
TYPE OF TEST : Mutation in microorganisms
TEST SYSTEM : Bacteria - Escherichia coli
DOSE/DURATION : 5 ug/plate
REFERENCE :
KEKHB8 Kanagawa-ken Eisei Kenkyusho Kenkyu Hokoku. Bulletin of Kanagawa
Prefectural Public Health Laboratories. (Kanagawa-ken Eisei Kenkyusho,
52-2, Nakao-cho, Asahi-ku, Yokohama 241, Japan) No.1- 1971-
Volume(issue)/page/year: (9),11,1979
TYPE OF TEST : Mutation in microorganisms
TEST SYSTEM : Bacteria - Escherichia coli
DOSE/DURATION : 5 mmol/L
REFERENCE :
FOMIAZ Folia Microbiologica (Prague). (Academia, Vodickova 40, 112 29
Prague 1, Czechoslavakia) V.4- 1959- Volume(issue)/page/year: 27,25,1982
TYPE OF TEST : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE : Inhalation
TEST SYSTEM : Insect - Drosophila melanogaster
DOSE/DURATION : 100 pph/8M
REFERENCE :
PREBA3 Proceedings of the Royal Society of Edinburgh, Section B. (Edinburgh,
Scotland, UK) V.61-74, 1943-74. Volume(issue)/page/year: 62,284,1946/1947
TYPE OF TEST : Mutation in mammalian somatic cells
TEST SYSTEM : Rodent - mouse Lymphocyte
DOSE/DURATION : 400 ug/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E.
11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year:
12,85,1988
TYPE OF TEST : Morphological transformation
TEST SYSTEM : Rodent - hamster Fibroblast
DOSE/DURATION : 5 nmol/L
REFERENCE :
JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological
Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku,
Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 10,177,1985
TYPE OF TEST : Cytogenetic analysis
TEST SYSTEM : Rodent - hamster Fibroblast
DOSE/DURATION : 4 mg/L
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House,
Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year:
22,623,1984
TYPE OF TEST : Cytogenetic analysis
TEST SYSTEM : Rodent - hamster Ovary
DOSE/DURATION : 5 mg/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E.
11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year:
10(Suppl 10),1,1987
TYPE OF TEST : Sister chromatid exchange
TEST SYSTEM : Rodent - hamster Ovary
DOSE/DURATION : 160 ug/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E.
11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year:
10(Suppl 10),1,1987
TYPE OF TEST : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE : Administration onto the skin
TEST SYSTEM : Mammal - species unspecified
DOSE/DURATION : 800 ug/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 300,111,1993
*** REVIEWS ***
IARC Cancer Review:Animal Limited Evidence
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 36,55,1985
IARC Cancer Review:Human No Adequate Data
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 36,55,1985
IARC Cancer Review:Group 3
IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49
Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year:
7,56,1987
TOXICOLOGY REVIEW
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 26,225,1974
*** 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
*** OCCUPATIONAL EXPOSURE LIMITS ***
OEL-RUSSIA:TWA 0.3 mg/m3;STEL 0.6 mg/m3 JAN 1993
*** STATUS IN U.S. ***
EPA GENETOX PROGRAM 1988, Positive: D melanogaster Sex-linked lethal
EPA TSCA Section 8(b) CHEMICAL INVENTORY
NTP Carcinogenesis Bioassay (gavage);clear evidence:rat
NTPTR* National Toxicology Program Technical Report Series. (Research
Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-234,82
NTP Carcinogenesis Bioassay (gavage);no evidence:mouse
NTPTR* National Toxicology Program Technical Report Series. (Research
Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-234,82
*** END OF RECORD ***