Methyl cyclopentenolone

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,2-Cyclopentanediol,3-methyl-
  • CYCLOPENTANECARBOXYLIC ACID, 3-METHYL-2-OXO-, METHYL ESTER
  • Propionaldehyde
  • 6-Oxabicyclo[3.1.0]hexan-2-one,5-methyl-
  • 2-hydroxy-3-methylcyclopentan-1-one
  • 2,5-dioxohexyl acetate
  • 2-chloro-3-methyl-2-cyclopenten-1-one
  • 2-Cyclopenten-1-one,2-methoxy-3-methyl-
  • 2-methyl-4-propoxypenta-1,4-dien-3-one
  • 2-methyl-2-(trimethylsilyl-oxy)-glutaric acid dimethyl ester

DownStream

  • 2-Cyclopenten-1-one,2-methoxy-3-methyl-
  • 2-methoxy-5-methyl-cyclopent-2-enone
  • (S)-2-Methyl-5-oxotetrahydrofuran-2-carboxylicacid
  • Levulinic acid
  • (R)-2-Methyl-5-oxo-tetrahydrofurane-2-carboxylicacid
  • Dihydrojasmone
  • 3-Ethyl-2-hydroxy-2-cyclopenten-1-one
  • 2-methylcyclopentenone

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%

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Related Compounds

  • Methyl cyclopentenolone propionate
  • 3-Methylcyclopentane-1,2-dione hydrate Methyl cyclopentenolone hydrate
  • 3-HYDROXY-2-METHYL-CYCLOPENT-2-ENONE
  • methyl 3-azido-4-methyl-2-methylidenehexanoate
  • methyl indene
  • Methyl 5-amino-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate