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Isothiocyanic acid, allyl ester

RTECS #: NX8225000

CAS #: 57-06-7


UPDATE: August 2008 MW: 99.16 MF: C4H5NS


NOTE:

TABLE OF CONTENTS:
  1. SYNONYMS:
  2. SKIN AND EYE IRRITATION DATA:
  3. MUTATION DATA:
  4. REPRODUCTIVE EFFECTS DATA:
  5. TUMORIGENIC DATA:
  6. ACUTE TOXICITY DATA:
  7. OTHER MULTIPLE DOSE DATA:
  8. REVIEWS:
  9. STANDARDS AND REGULATIONS:
  10. STATUS IN FEDERAL AGENCIES:
  11. REFERENCES:

SYNONYMS:

  1. 2 - Propenyl isothiocyanate
  2. 3 - Isothiocyanato - 1 - propene
  3. Allyl isorhodanide
  4. Allyl isosulfocyanate
  5. Allyl isosulphocyanate
  6. Allyl isothiocyanate
  7. Allyl mustard oil
  8. Allyl sevenolum
  9. Allyl thiocarbonimide
  10. Allyl - isothiocyanate
  11. Allylisothiokyanat (Czech)
  12. Allylsenevol
  13. Allylsenfoel (German)
  14. Artificial mustard oil
  1. Artificial oil of mustard
  2. Carbospol
  3. FEMA No. 2034
  4. Isothiocyanate d'allyle (French)
  5. Mustard oil
  6. NCI - C50464
  7. Oil of mustard BPC 1949
  8. Oil of mustard, artificial
  9. Oleum sinapis volatile
  10. Propene, 3 - isothiocyanato -
  11. Redskin
  12. Senf oel (German)
  13. Synthetic mustard oil
  14. Volatile oil of mustard


SKIN AND EYE IRRITATION DATA AND REFERENCES:

ROUTE/
ORGANISM
DOSE
EFFECT

REFERENCE
eye
rabbit
2 mg N/R AEPPAE 219,119,1953


MUTATION DATA AND REFERENCES:

SYSTEM TEST ROUTE/
ORGANISM/
TISSUE
DOSE REFERENCE
cytogenetic analysis hamster fibroblast 4 mg/L FCTOD7 22,623,1984
cytogenetic analysis hamster ovary 5 mg/L EMMUEG 10(Suppl 10),1,1987
DNA damage human Ascites tumor 50 mol/L/24 hour FCTOD7 40,1077,2002
DNA damage human other cell types 50 mol/L/24 hour TCMUD8 23,273,2003
mutation in microorganisms Escherichia coli 5 g/plate (-enzymatic activation step) KEKHB8 (9),11,1979
mutation in microorganisms Escherichia coli 5 mmol/L (+enzymatic activation step) FOMIAZ 27,25,1982
mutation in microorganisms Salmonella typhimurium 100 g/plate (+enzymatic activation step) ABCHA6 44,3017,1980
mutation in mammalian somatic cells mouse lymphocyte 400 g/L EMMUEG 12,85,1988
morphological transform hamster fibroblast 5 nmol/L JTSCDR 10,177,1985
other mutation test systems skin
mammal (species unspecified)
800 g/L MUREAV 300,111,1993
sister chromatid exchange hamster ovary 160 g/L EMMUEG 10(Suppl 10),1,1987
sex chromosome loss and nondisjunction inhalation
Drosophila melanogaster
100 pph/8 minute PREBA3 62,284,1946/1947


REPRODUCTIVE EFFECTS DATA AND REFERENCES:

ROUTE/
ORGANISM
DOSE
EFFECT

REFERENCE
subcutaneous
rat
lowest published toxic dose: 100 mg/kg (8-9 day pregnant) Reproductive: Effects on embryo or fetus: Fetotoxicity (except death, e.g., stunted fetus) FCTXAV 18,159,1980
subcutaneous
rat
lowest published toxic dose: 200 mg/kg (8-9 day pregnant) Reproductive: Effects on fertility: Post- implantation mortality (e.g., dead and/or resorbed implants per total number of implants) FCTXAV 18,159,1980


TUMORIGENIC DATA AND REFERENCES:

ROUTE/
ORGANISM
DOSE
EFFECT

REFERENCE
oral
rat
lowest published toxic dose: 12,875 mg/kg/2 year- intermittent Tumorigenic: Neoplastic by RTECS criteria

Kidney, Ureter, and Bladder: Bladder tumors
NTPTR* NTP-TR-234,1982
oral
rat
lowest published toxic dose: 12,875 mg/kg/103 week- intermittent Tumorigenic: Carcinogenic by RTECS criteria

Kidney, Ureter, and Bladder: Bladder tumors
NTIS** PB83-144238
oral
rat
lowest published toxic dose: 12,875 mg/kg/103 week- intermittent Tumorigenic: Equivocal tumorigenic agent by RTECS criteria

Skin and Appendages: Tumors
NTIS** PB83-144238
skin
mouse
lowest published toxic dose: 12 gm/kg/12 week- intermittent Tumorigenic: Equivocal tumorigenic agent by RTECS criteria

Tumorigenic: Increased incidence of tumors in susceptible strains

Tumorigenic: Facilitates action of known carcinogens
AICCA6 11,699,1955


ACUTE TOXICITY DATA AND REFERENCES:

ROUTE/
ORGANISM
DOSE
EFFECT

REFERENCE
intraaural
mouse
lowest published toxic dose: 4.44 L/kg Biochemical: Metabolism (intermediary): Effect on inflammation or mediation of inflammation BJPCBM 149,405,2006
intraperitoneal
mouse
lowest published lethal dose: 4 mg/kg N/R TXAPA9 23,288,1972
intraperitoneal
rat
lowest published lethal dose: 80 mg/kg N/R ARZNAD 16,870,1966
intravenous
rabbit
lowest published lethal dose: 12 mg/kg Behavioral: Muscle contraction or spasticity

Lung, Thorax, or Respiration: Other changes

Nutritional and Gross Metabolic: Body temperature decrease
BIJOAK 4,107,1909
oral
mouse
lethal dose (50 percent kill): 308 mg/kg N/R AMRL** TR-73-83,1973
oral
rat
lethal dose (50 percent kill): 112 mg/kg Lung, Thorax, or Respiration: Other changes

Gastrointestinal: Other changes
AEPPAE 219,119,1953
oral
rat
lowest published lethal dose: 250 mg/kg N/R TCMUD8 18,209,1998
rectal
mouse
lowest published toxic dose: 15 mg/kg Behavioral: Change in motor activity (specific assay) BPBLEO 29,82,2006
subcutaneous
mouse
lethal dose (50 percent kill): 80 mg/kg Behavioral: Convulsions or effect on seizure threshold ARZNAD 5,505,1955
subcutaneous
rat
lethal dose (50 percent kill): 92 mg/kg Behavioral: Coma

Skin: After systemic exposure: Dermatitis, other
FCTXAV 18,159,1980
skin
mouse
lowest published lethal dose: 19.83 mg/kg/12 hour N/R XENOBH 23,889,1993
skin
rabbit
lethal dose (50 percent kill): 88 mg/kg N/R TXAPA9 42,417,1977


OTHER MULTIPLE DOSE DATA AND REFERENCES:

ROUTE/
ORGANISM
DOSE
EFFECT

REFERENCE
intraperitoneal
mouse
lowest published toxic dose: 476 mg/kg/4 week- intermittent Tumorigenic: Protects against induction of experimental tumors CRNGDP 24,1665,2003
oral
mouse
lowest published toxic dose: 700 mg/kg/14 day- continuous Related to Chronic Data: Death in the "MULTIPLE DOSE" data type field NTPTR* NTP-TR-234,1982
oral
rat
lowest published toxic dose: 5,600 mg/kg/14 day- continuous Behavioral: Somnolence (general depressed activity)

Skin and Appendages: Other: Hair

Related to Chronic Data: Death in the "MULTIPLE DOSE" data type field
NTPTR* NTP-TR-234,1982
oral
rat
lowest published toxic dose: 300 mg/kg/3 day- intermittent 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.)
TOLED5 44,65,1988


REVIEWS:

ORGANIZATION STANDARD
REFERENCE

International Agency for Research on Cancer (IARC) Cancer Review Animal Limited Evidence IMEMDT 36,55,1985
International Agency for Research on Cancer (IARC) Cancer Review Animal Limited Evidence IMEMDT 73,37,1999
International Agency for Research on Cancer (IARC) Cancer Review Human No Adequate Data IMEMDT 36,55,1985
International Agency for Research on Cancer (IARC) Cancer Review Human Inadequate Evidence IMEMDT 73,37,1999
International Agency for Research on Cancer (IARC) Cancer Review Group 3 IMEMDT 73,37,1999
TOXICOLOGY REVIEW
MUREAV 26,225,1974
TOXICOLOGY REVIEW
EMMUEG 39,69,2002
TOXICOLOGY REVIEW
MUREAV 584,1,2005


STANDARDS AND REGULATIONS:

ORGANIZATION STANDARD
REFERENCE

Environmental Protection Agency (EPA) Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA) 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC 54,7740,1989
Environmental Protection Agency (EPA) Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA) 1998 STATUS OF PESTICIDES: RED Completed RBREV* -,343,1998
Occupational Exposure Limit - RUSSIA time-weighted average 0.3 mg/m3, short term exposure limit 0.6 mg/m3, JUN2003


NIOSH DOCUMENTATION AND SURVEILLANCE:

ORGANIZATION STANDARD or SURVEY
REFERENCE

N/R N/R N/R


STATUS IN FEDERAL AGENCIES:

ORGANIZATION
REFERENCE

EPA GENETOX PROGRAM 1988, Positive: D melanogaster Sex-linked lethal
EPA TSCA Section 8(b) CHEMICAL INVENTORY
Used as a pharmaceutical and veterinary drug
NCI Carcinogenesis Studies (gavage);clear evidence:rat
NCI Carcinogenesis Studies (gavage);no evidence:mouse


REFERENCES:

CODEN
REFERENCE

ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961-
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC.
AICCA6 Acta Unio Internationalis Contra Cancrum. (Louvain, Belgium) V.1-20, 1936-64. For publisher information, see IJCNAW.
AMRL** Aerospace Medical Research Laboratory Report. (Aerospace Technical Div., Air Force Systems Command, Wright-Patterson Air Force Base, OH 45433)
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
BIJOAK Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1906-
BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968-
BPBLEO Biological and Pharmaceutical Bulletin. (Pharmaceutical Society of Japan, 2-12-15-201 Shibuya Shibuya-ku, Tokyo 150, Japan) V.16- 1993-
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980-
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987-
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982-
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7.
FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936-
FOMIAZ Folia Microbiologica (Prague). (Academia, Vodickova 40, 112 29 Prague 1, Czechoslavakia) V.4- 1959-
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-
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-
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-
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964-
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information.
NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206-
PREBA3 Proceedings of the Royal Society of Edinburgh, Section B. (Edinburgh, Scotland, UK) V.61-74, 1943-74.
RBREV* Status of Pesticides in Registration, Reregistration, and Special Review (Rainbow Report), Special Review and Reregistration Division Office of Pesticide Programs U.S. Environmental Protection Agency, 401 M. Street, S.W., Washington, D.C. 20460, Spring 1998
TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980-
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977-
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959-
XENOBH Xenobiotica. (Taylor & Francis Ltd., 4 John St., London WC1N 2ET, UK) V.1- 1971-

Used as a pharmaceutical and veterinary drug

FDA-over the counter drug

RTECS Compound Description:
   Agricultural Chemical
   Tumorigen
   Mutagen
   Reproductive Effector
   Human Data
   Natural Product
   Primary Irritant

ALT CAS #: 50888-64-7
ALT CAS #: 50978-48-8
ALT CAS #: 58391-87-0
ALT CAS #: 107231-30-1
Click Here for Additional Information about RTECS

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