Isothiocyanic acid, allyl ester

RTECS #
NX8225000
CAS #
57-06-7; 50888-64-7; 50978-48-8; 58391-87-0; 107231-30-1
See: NMAM or OSHA Methods
Updated
December 2018
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 systemsother cell types/human78.1 µmol/LTIVIEQ 29,1425,2015
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
Tank with water/frog lethal concentration (50 percent kill): 380.77 µg/L/96HTOXIA6 2,222,2015
Tank with water/frog toxic concentration: 297.48 µg/L/96HReproductive: Specific developmental abnormalities: Skin and skin appendages

Reproductive: Specific developmental abnormalities: Gastrointestinal system

Reproductive: Other developmental abnormalities
TOXIA6 2,222,2015

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
TOXICOLOGY REVIEWFCTOD7 106,609,2017

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
Page last reviewed: November 16, 2018