CAS 90-65-3|g-Keto-b-methoxy-d-methylene-Da-hexenoic Acid

Introduction：Basic information about CAS 90-65-3|g-Keto-b-methoxy-d-methylene-Da-hexenoic Acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	g-Keto-b-methoxy-d-methylene-Da-hexenoic Acid
CAS Number	90-65-3	Molecular Weight	170.163
Density	1.2±0.1 g/cm3	Boiling Point	285.7±35.0 °C at 760 mmHg
Molecular Formula	C₈H₁₀O₄	Melting Point	83-87ºC
MSDS	/	Flash Point	113.5±19.4 °C

Names

Name	penicillic acid
Synonym	More Synonyms

BiologicalActivity

Description	Penicillic acid is a polyketide mycotoxin produced by several species of Aspergillus and Penicillium, which exhibits cytotoxicity in rat alveolar macrophages (AM) in vitro. Penicillic acid inhibits Fas ligand-induced apoptosis by blocking self-processing of caspase-8[1][2].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Apoptosis >>Caspase
References	[1]. Sorenson WG, et al. Toxicity of penicillic acid for rat alveolar macrophages in vitro. Environ Res. 1986 Dec;41(2):505-13. [2]. Bando M, et al. The mycotoxin penicillic acid inhibits Fas ligand-induced apoptosis by blocking self-processing of caspase-8 in death-inducing signaling complex. J Biol Chem. 2003 Feb 21;278(8):5786-93.

Description

Penicillic acid is a polyketide mycotoxin produced by several species of Aspergillus and Penicillium, which exhibits cytotoxicity in rat alveolar macrophages (AM) in vitro. Penicillic acid inhibits Fas ligand-induced apoptosis by blocking self-processing of caspase-8[1][2].

Related Catalog

Research Areas >>CancerSignaling Pathways >>Apoptosis >>Caspase

References

[1]. Sorenson WG, et al. Toxicity of penicillic acid for rat alveolar macrophages in vitro. Environ Res. 1986 Dec;41(2):505-13.

[2]. Bando M, et al. The mycotoxin penicillic acid inhibits Fas ligand-induced apoptosis by blocking self-processing of caspase-8 in death-inducing signaling complex. J Biol Chem. 2003 Feb 21;278(8):5786-93.

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
InChIKey	VOUGEZYPVGAPBB-GQCTYLIASA-N
SMILES	C=C(C)C(=O)C(=CC(=O)O)OC
Water Solubility	DMSO: >10mg/mL

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%

Synonyms

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

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