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80-71-7

80-71-7 structural image
Product Name: Methyl cyclopentenolone
Formula: C6H8O2
Synonyms: 2-Hydroxy-3-methyl-2-cyclopentene-1-one;Cyclotene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid; Pellets or Large Crystals
Solubility soluble in alcohol and propylene glycol; slightly soluble in most fixed oils and 1 g in 72 ml water
Kovats Retention Index 1000 1015 1021 1025 982 990 995 1014 1006 1006 1006 1005 1001.5 1015 1021
Chemical Classes Other Classes -> Other Organic Compounds

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
H318:Serious eye damage/eye irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 112.13 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 112.052429494 g/mol
Monoisotopic Mass 112.052429494 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 156
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Cyclotene is a natural product found in Picea abies, Panax ginseng, and other organisms with data available.