Methyl cyclopentenolone
Names
[ CAS No. ]:
80-71-7
[ Name ]:
Methyl cyclopentenolone
[Synonym ]:
2-Cyclopenten-1-one, 3-hydroxy-2-methyl-
EINECS 201-303-2
MFCD00013747
3-Hydroxy-2-methylcyclopent-2-en-1-one
Methyl cyclopentenolone
3-Hydroxy-2-methyl-cyclopent-2-enone
3-Hydroxy-2-methyl-2-cyclopenten-1-one
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
212.2±40.0 °C at 760 mmHg
[ Melting Point ]:
104-108°C
[ Molecular Formula ]:
C6H8O2
[ Molecular Weight ]:
112.127
[ Flash Point ]:
84.4±19.9 °C
[ Exact Mass ]:
112.052429
[ PSA ]:
37.30000
[ LogP ]:
0.30
[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C
[ Index of Refraction ]:
1.549
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GY7298000
- CHEMICAL NAME :
- 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-
- CAS REGISTRY NUMBER :
- 80-71-7
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C6-H8-O2
- MOLECULAR WEIGHT :
- 112.14
- WISWESSER LINE NOTATION :
- L5V BUTJ BQ C1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 1400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 1500 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 169,129,1986
Safety Information
[ Symbol ]:
GHS07, GHS08
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H315-H319-H334-H335
[ Precautionary Statements ]:
P261-P305 + P351 + P338-P342 + P311
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ Hazard Codes ]:
Xi
[ Risk Phrases ]:
36/37/38-43
[ Safety Phrases ]:
26-36/37
[ RIDADR ]:
NONH for all modes of transport
[ RTECS ]:
GY7298000
[ HS Code ]:
2914190090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2914400090
[ Summary ]:
2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
Articles
J. Med. Chem. 48 , 2906-15, (2005)
Carboxylesterases (CE) are ubiquitous enzymes responsible for the metabolism of xenobiotics. Because the structural and amino acid homology among esterases of different classes, the identification of ...
3-methyl-1,2-cyclopentanedione down-regulates age-related NF-kappaB signaling cascade.J. Agric. Food Chem. 55(16) , 6787-92, (2007)
Activation of the redox-sensitive transcription factor, nuclear factor-kappa B (NF-kappaB), plays a central role in inflammation and aging processes by inducing pro-inflammatory genes. The present stu...
Enantiomeric deoxycholic acid: total synthesis, characterization, and preliminary toxicity toward colon cancer cell lines.J. Org. Chem. 72(24) , 9298-307, (2007)
Deoxycholic acid (DCA) is an endogenous secondary bile acid implicated in numerous pathological conditions including colon cancer formation and progression and cholestatic liver disease. DCA involveme...