g-Keto-b-methoxy-d-methylene-Da-hexenoic Acid
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Names
[ CAS No. ]:
90-65-3
[ Name ]:
g-Keto-b-methoxy-d-methylene-Da-hexenoic Acid
[Synonym ]:
3-methoxy-5-methyl-4-oxo-5-hexadienoicacid
Penicillic acid 25MG
3-methoxy-5-methyl-4-oxo-hexa-2,5-dienoic acid
pencillicacid
EINECS 202-008-1
Penicillic acid from Penicillium cyclopium
3-Methoxy-5-methyl-4-oxo-hexa-2,5-diensaeure
(2E)-3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
Penicillinsaeure
kyselinapenicilova
2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-, (2E)-
(2E)-3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acid
g-Keto-b-methoxy-d-methylene-Da-hexenoic Acid
PENICILLINACID
Penicilliumsaeure
MFCD00004365
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
285.7±35.0 °C at 760 mmHg
[ Melting Point ]:
83-87ºC
[ Molecular Formula ]:
C8H10O4
[ Molecular Weight ]:
170.163
[ Flash Point ]:
113.5±19.4 °C
[ Exact Mass ]:
170.057907
[ PSA ]:
63.60000
[ LogP ]:
0.84
[ Vapour Pressure ]:
0.0±1.3 mmHg at 25°C
[ Index of Refraction ]:
1.482
[ Water Solubility ]:
DMSO: >10mg/mL
MSDS
Toxicological Information
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
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 34
- MOLECULAR FORMULA :
- C8-H10-O4
- MOLECULAR WEIGHT :
- 170.18
- WISWESSER LINE NOTATION :
- QV1UYO1&VY1&U1
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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- 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
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- 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)
MUTATION DATA
- 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
Safety Information
[ Hazard Codes ]:
Xn: Harmful;T: Toxic;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26;S37/S39
[ RIDADR ]:
UN 2811
[ RTECS ]:
MM2625000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1(b)
[ HS Code ]:
2918990090
Customs
[ HS Code ]: 2918990090
[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%