*** CHEMICAL IDENTIFICATION ***
RTECS NUMBER : MM2625000
CHEMICAL NAME : 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-
CAS REGISTRY NUMBER : 90-65-3
BEILSTEIN REFERENCE NO. : 1773464
REFERENCE : 3-03-00-01467 (Beilstein Handbook Reference)
LAST UPDATED : 199612
DATA ITEMS CITED : 34
MOLECULAR FORMULA : C8-H10-O4
MOLECULAR WEIGHT : 170.18
WISWESSER LINE NOTATION : QV1UYO1&VY1&U1
COMPOUND DESCRIPTOR : Tumorigen
Drug
Mutagen
Reproductive Effector
Natural Product
SYNONYMS/TRADE NAMES :
* gamma-Keto-beta-methoxy-delta-methylene-delta(sup alpha)-hexenoic acid
* Kyselina penicilova
* 3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acid
* Penicillic acid
*** HEALTH HAZARD DATA ***
** ACUTE TOXICITY DATA **
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 90 mg/kg
TOXIC EFFECTS :
Liver - other changes
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub.,
1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76-
Volume(issue)/page/year: 7,169,1981
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 600 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: 88,119,1946
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 90 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:
52,1,1980
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year:
11,1122,1989
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 250 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: 88,119,1946
TYPE OF TEST : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE : Unreported
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 280 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills,
Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year:
15,85,1961
** TUMORIGENIC DATA **
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 960 mg/kg/48W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria
Tumorigenic - tumors at site of application
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills,
Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year:
15,85,1961
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 608 mg/kg/38W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria
Tumorigenic - tumors at site of application
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills,
Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year:
19,392,1965
** REPRODUCTIVE DATA **
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE : 90 mg/kg
SEX/DURATION : female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
TOXIA6 Toxicon. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW,
UK) V.1- 1962- Volume(issue)/page/year: 16,92,1978
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE : 90 mg/kg
SEX/DURATION : female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
REFERENCE :
85EGD4 "Toxins: Animal, Plant and Microbial; Proceedings of the
International Symposium," Rosenberg, P., ed., New York, Pergamon Press Inc.,
1978 Volume(issue)/page/year: -,739,1978
** MUTATION DATA **
TYPE OF TEST : Mutation test systems - not otherwise specified
TEST SYSTEM : Bacteria - Escherichia coli
DOSE/DURATION : 10 ug/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 171,79,1986
TYPE OF TEST : DNA repair
TEST SYSTEM : Bacteria - Bacillus subtilis
DOSE/DURATION : 100 ug/disc
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year:
36,445,1976
TYPE OF TEST : DNA damage
TEST SYSTEM : Human HeLa cell
DOSE/DURATION : 320 mg/L/1H
REFERENCE :
JJEMAG Japanese Journal of Experimental Medicine. (Kinokuniya Book-Stores
of America Co., Ltd., West Bldg., Japan Cultural and Trade Center, 1581
Webster St., San Francisco, CA 94115) V.7- 1928- Volume(issue)/page/year:
42,527,1972
TYPE OF TEST : DNA inhibition
TEST SYSTEM : Human Fibroblast
DOSE/DURATION : 500 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 183,89,1987
TYPE OF TEST : DNA inhibition
TEST SYSTEM : Human HeLa cell
DOSE/DURATION : 100 mg/L
REFERENCE :
JJEMAG Japanese Journal of Experimental Medicine. (Kinokuniya Book-Stores
of America Co., Ltd., West Bldg., Japan Cultural and Trade Center, 1581
Webster St., San Francisco, CA 94115) V.7- 1928- Volume(issue)/page/year:
42,327,1972
TYPE OF TEST : Cytogenetic analysis
TEST SYSTEM : Human HeLa cell
DOSE/DURATION : 10 mg/L
REFERENCE :
JJEMAG Japanese Journal of Experimental Medicine. (Kinokuniya Book-Stores
of America Co., Ltd., West Bldg., Japan Cultural and Trade Center, 1581
Webster St., San Francisco, CA 94115) V.7- 1928- Volume(issue)/page/year:
42,327,1972
TYPE OF TEST : Mutation test systems - not otherwise specified
TEST SYSTEM : Rodent - rat Cells - not otherwise specified
DOSE/DURATION : 600 umol/L
REFERENCE :
ENVRAL Environmental Research. (Academic Press, Inc., 1 E. First St.,
Duluth, MN 55802) V.1- 1967- Volume(issue)/page/year: 41,505,1986
TYPE OF TEST : DNA damage
TEST SYSTEM : Rodent - mouse Fibroblast
DOSE/DURATION : 100 mg/L/3H
REFERENCE :
FOBLAN Folia Biologica (Prague). (Academic Press Inc. Ltd., 24-28 Oval Rd.,
London NW1 7DX, UK) V.1- 1955- Volume(issue)/page/year: 32,406,1986
TYPE OF TEST : DNA damage
TEST SYSTEM : Rodent - mouse Cells - not otherwise specified
DOSE/DURATION : 100 mg/L
REFERENCE :
GANNA2 Gann. Japanese Journal of Cancer Research. (Tokyo, Japan) V.1-75,
1907-84. For publisher information, see JJCREP. Volume(issue)/page/year:
68,619,1977
TYPE OF TEST : DNA inhibition
TEST SYSTEM : Rodent - mouse Fibroblast
DOSE/DURATION : 5 mg/L
REFERENCE :
FOBLAN Folia Biologica (Prague). (Academic Press Inc. Ltd., 24-28 Oval Rd.,
London NW1 7DX, UK) V.1- 1955- Volume(issue)/page/year: 32,406,1986
TYPE OF TEST : Cytogenetic analysis
TEST SYSTEM : Rodent - mouse Cells - not otherwise specified
DOSE/DURATION : 3200 ug/L
REFERENCE :
GANNA2 Gann. Japanese Journal of Cancer Research. (Tokyo, Japan) V.1-75,
1907-84. For publisher information, see JJCREP. Volume(issue)/page/year:
68,619,1977
TYPE OF TEST : Mutation in mammalian somatic cells
TEST SYSTEM : Rodent - mouse Cells - not otherwise specified
DOSE/DURATION : 3200 ug/L
REFERENCE :
GANNA2 Gann. Japanese Journal of Cancer Research. (Tokyo, Japan) V.1-75,
1907-84. For publisher information, see JJCREP. Volume(issue)/page/year:
68,619,1977
TYPE OF TEST : DNA damage
TEST SYSTEM : Rodent - hamster Ovary
DOSE/DURATION : 100 mg/L/3H
REFERENCE :
FOBLAN Folia Biologica (Prague). (Academic Press Inc. Ltd., 24-28 Oval Rd.,
London NW1 7DX, UK) V.1- 1955- Volume(issue)/page/year: 32,406,1986
TYPE OF TEST : DNA inhibition
TEST SYSTEM : Rodent - hamster Ovary
DOSE/DURATION : 500 ug/L
REFERENCE :
FOBLAN Folia Biologica (Prague). (Academic Press Inc. Ltd., 24-28 Oval Rd.,
London NW1 7DX, UK) V.1- 1955- Volume(issue)/page/year: 32,406,1986
*** 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: 10,211,1976
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: 10,211,1976
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
LLOYA2 Lloydia. (Cincinnati, OH) V.1-41, 1938-78. For publisher
information, see JNPRDF. Volume(issue)/page/year: 38,21,1975
TOXICOLOGY REVIEW
22HAAD "Microbial Toxins, 1970-72," Ajil, S.J., et al., eds., New York,
Academic Press, Inc., 1970-72 Volume(issue)/page/year: 6,409,1971
TOXICOLOGY REVIEW
ARMIAZ Annual Review of Microbiology. (Annual Reviews, Inc., POB 10139,
Palo Alto, CA 94303) V.1- 1947- Volume(issue)/page/year: 26,279,1972
*** STATUS IN U.S. ***
EPA GENETOX PROGRAM 1988, Positive: B subtilis rec assay
EPA GENETOX PROGRAM 1988, Positive/limited: Carcinogenicity-mouse/rat
EPA GENETOX PROGRAM 1988, Negative: S cerevisiae-homozygosis
EPA GENETOX PROGRAM 1988, Inconclusive: Histidine reversion-Ames test
*** END OF RECORD ***