Skip directly to search Skip directly to A to Z list Skip directly to navigation Skip directly to page options Skip directly to site content

Registry of Toxic Effects of Chemical Substances (RTECS)

Isothiocyanic acid, allyl ester

RTECS #

NX8225000

CAS #

57-06-7; 50888-64-7; 50978-48-8; 58391-87-0; 107231-30-1

Updated

April 2017

Molecular Weight

99.16

Molecular Formula

C4H5NS

Synonyms

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

Skin and Eye Irritation and References

Route/OrganismDoseEffectReference
eye /rabbit 2 mgAEPPAE 219,119,1953

Mutation Data and Reference

System TestRoute/Organism/TissueDoseReference
Cytogenetic Analysisfibroblast/hamster4 mg/LFCTOD7 22,623,1984
Cytogenetic Analysisovary/hamster5 mg/LEMMUEG 10(Suppl 10),1,1987
DNA DamageAscites tumor/human50 µmol/L/24HFCTOD7 40,1077,2002
DNA Damageother cell types/human50 µmol/L/24HTCMUD8 23,273,2003
morphological transformfibroblast/hamster5 nmol/LJTSCDR 10,177,1985
mutation in mammalian somatic cellslymphocyte/mouse400 µg/LEMMUEG 12,85,1988
mutation in microorganisms/Salmonella typhimurium100 µg/plate (+enzymatic activation step)ABCHA6 44,3017,1980
mutation in microorganisms/Escherichia coli5 µg/plate (-enzymatic activation step)KEKHB8 (9),11,1979
mutation in microorganisms/Escherichia coli5 mmol/L (+enzymatic activation step)FOMIAZ 27,25,1982
other mutation test systemsskin/mammal (species unspecified)800 µg/LMUREAV 300,111,1993
sex chromosome loss and nondisjunctioninhalation/Drosophila melanogaster100 pph/8MPREBA3 62,284,1946/1947
sister chromatid exchangeovary/hamster160 µg/LEMMUEG 10(Suppl 10),1,1987

Reproductive Effects Data and References

Route/OrganismDoseEffectReference
subcutaneous/rat 100 mg/kg (8-9D pregnant)Reproductive: Effects on embryo or fetus: Fetotoxicity (except death, e.g., stunted fetus)FCTXAV 18,159,1980
subcutaneous/rat 200 mg/kg (8-9D 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/OrganismDoseEffectReference
oral/rat lowest published toxic dose: 12875 mg/kg/2Y- intermittentTumorigenic: Neoplastic by RTECS criteria

Kidney, Ureter, and Bladder: Bladder tumors
NTPTR* NTP-TR-234,1982
oral/rat lowest published toxic dose: 12875 mg/kg/103W- intermittentTumorigenic: Carcinogenic by RTECS criteria

Kidney, Ureter, and Bladder: Bladder tumors
NTIS** PB83-144238
oral/rat lowest published toxic dose: 12875 mg/kg/103W- intermittentTumorigenic: Equivocal tumorigenic agent by RTECS criteria

Skin and Appendages: Tumors
NTIS** PB83-144238
skin/mouse lowest published toxic dose: 12 gm/kg/12W- intermittentTumorigenic: 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/OrganismDoseEffectReference
In Vitro/Human, leukemia cells Inhibitor Concentration (50 percent kill): 18.2 µmol/L/48HIn Vitro Toxicity Studies: Cell metabolic activity: Alamar Blue assay etc.TXCYAC 334,59,2015
In Vitro/Human, leukemia cells Inhibitor Concentration Low: 2 µmol/L/24HBiochemical: Enzyme inhibition, induction, or change in blood or tissue levels: Hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)TXCYAC 334,59,2015
In Vitro/Human, leukemia cells Inhibitor Concentration Low: 100 µmol/L/48HIn Vitro Toxicity Studies: Other assaysTXCYAC 334,59,2015
In Vitro/Rat, liver Inhibitor Concentration Low: 20 µmol/LBiochemical: Enzyme inhibition, induction, or change in blood or tissue levels: Hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)FCTOD7 50,2822,2012
In Vitro/Rat, liver Inhibitor Concentration Low: 20 µmol/LBiochemical: Enzyme inhibition, induction, or change in blood or tissue levels: Other oxidoreductasesFCTOD7 50,2822,2012
inhalation/rat lowest published toxic concentration: 1.9 mg/m3/4HLung, Thorax, or Respiration: Structural or functional change in trachea or bronchi

Lung, Thorax, or Respiration: Respiratory depression
TOVEFN (1),47,2008
inhalation/rat lowest published toxic concentration: 9 mg/m3/4HBehavioral: Alteration of classical conditioningTOVEFN (1),47,2008
inhalation/rat lowest published toxic concentration: 35.1 mg/m3/4HKidney, Ureter, and Bladder: Urine volume increased

Biochemical: Enzyme inhibition, induction, or change in blood or tissue levels: Transaminases
TOVEFN (1),47,2008
intraaural/mouse lowest published toxic dose: 4.44 µL/kgBiochemical: Metabolism (intermediary): Effect on inflammation or mediation of inflammationBJPCBM 149,405,2006
intraperitoneal/mouse lowest published lethal dose: 4 mg/kgTXAPA9 23,288,1972
intraperitoneal/rat lowest published lethal dose: 80 mg/kgARZNAD 16,870,1966
intravenous/rabbit lowest published lethal dose: 12 mg/kgBehavioral: 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/kgAMRL** TR-73-83,1973
oral/mouse lethal dose (50 percent kill): 410 mg/kgBehavioral: Somnolence (general depressed activity)

Behavioral: Food intake (animal)

Gastrointestinal: Other changes
TOVEFN (1),47,2008
oral/rat lethal dose (50 percent kill): 148 mg/kgBehavioral: Somnolence (general depressed activity)

Behavioral: Food intake (animal)

Gastrointestinal: Other changes
TOVEFN (1),47,2008
oral/rat lowest published lethal dose: 250 mg/kgTCMUD8 18,209,1998
oral/rat lethal dose (50 percent kill): 112 mg/kgLung, Thorax, or Respiration: Other changes

Gastrointestinal: Other changes
AEPPAE 219,119,1953
rectal/mouse lowest published toxic dose: 15 mg/kgBehavioral: Change in motor activity (specific assay)BPBLEO 29,82,2006
skin/mouse lowest published lethal dose: 19.83 mg/kg/12HXENOBH 23,889,1993
skin/rabbit lethal dose (50 percent kill): 88 mg/kgTXAPA9 42,417,1977
subcutaneous/mouse lethal dose (50 percent kill): 80 mg/kgBehavioral: Convulsions or effect on seizure thresholdARZNAD 5,505,1955
subcutaneous/rat lethal dose (50 percent kill): 92 mg/kgBehavioral: Coma

Skin: After systemic exposure: Dermatitis, other
FCTXAV 18,159,1980

Other Multiple Dose Data and References

Route/OrganismDoseEffectReference
intraperitoneal/mouse lowest published toxic dose: 476 mg/kg/4W- intermittentTumorigenic: Protects against induction of experimental tumorsCRNGDP 24,1665,2003
oral/mouse lowest published toxic dose: 700 mg/kg/14D- continuousRelated to Chronic Data: Death in the "MULTIPLE DOSE" data type fieldNTPTR* NTP-TR-234,1982
oral/rat lowest published toxic dose: 5600 mg/kg/14D- continuousBehavioral: 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/3D- intermittentLiver: 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

OrganizationStandardReference
International Agency for Research on Cancer (IARC)Cancer Review:Animal Limited EvidenceIMEMDT 36,55,1985
International Agency for Research on Cancer (IARC)Cancer Review:Animal Limited EvidenceIMEMDT 73,37,1999
International Agency for Research on Cancer (IARC)Cancer Review:Human No Adequate DataIMEMDT 36,55,1985
International Agency for Research on Cancer (IARC)Cancer Review:Human Inadequate EvidenceIMEMDT 73,37,1999
International Agency for Research on Cancer (IARC)Cancer Review:Group 3IMEMDT 73,37,1999
TOXICOLOGY REVIEWMUREAV 26,225,1974
TOXICOLOGY REVIEWEMMUEG 39,69,2002
TOXICOLOGY REVIEWMUREAV 584,1,2005
TOXICOLOGY REVIEWMUREAV 726,91,2011
TOXICOLOGY REVIEWMUREAV 750,107,2012
TOXICOLOGY REVIEWFCTOD7 49,3287,2011
TOXICOLOGY REVIEWMUREAV 760,1,2014
TOXICOLOGY REVIEWMUREAV 764-765,46,2014
TOXICOLOGY REVIEWMUREAV 769,34,2014
TOXICOLOGY REVIEWMUREAV 802,1,2016

Standards and Regulations

OrganizationStandardReference
Environmental Protection Agency (EPA) Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA) 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATIONFEREAC 54,7740,1989
Environmental Protection Agency (EPA) Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA) 1998 STATUS OF PESTICIDESRED CompletedRBREV* -,343,1998
Occupational Exposure Limit-RUSSIAtime-weighted average 0.3 mg/m3, short term exposure limit 0.6 mg/m3, JUN2003

Status in Federal Agencies

OrganizationReference
EPA GENETOX PROGRAM 1988, Positive: D melanogaster Sex-linked lethal
EPA TSCA Section 8(b) CHEMICAL INVENTORY
NCI Carcinogenesis Studies (gavage);clear evidence:rat
NCI Carcinogenesis Studies (gavage);no evidence:mouse
TOP