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89-82-7

89-82-7 structural image
Product Name: (+)-PULEGONE
Formula: C10H16O
Synonyms: (+)-Pulegone;(R)-(+)-Pulegone;p-Menth-4(8)-en-3-one;(R)-p-Menth-4(8)-en-3-one;(R)-2-Isopropylidene-5-methylcyclohexanone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid with a pleasant odor between peppermint and camphor; [Merck Index] Clear light brown liquid; [Sigma-Aldrich MSDS]
Color/Form Oil
Odor Pleasant odor, midway between peppermint and camphor
Boiling Point 224 °C
Melting Point < 25 °C
Solubility Practically insoluble in water
Density 0.9323 at 20 °C
Vapor Pressure 138.0 [mmHg]
LogP log Kow = 3.08
Stability/Shelf Life Stable under recommended storage condition /(R)-(+)-Pulegone/
Optical Rotation Specific optical rotation: +21 deg at 20 °C/D; +28.2 deg at 20 °C/546 °C
Decomposition Hazardous decomposition products formed under fire conditions. - Carbon oxides. /(R)-(+)-Pulegone/
Refractive Index Index of refraction: 1.4894 at 20 °C/D
Kovats Retention Index 1216 1214 1214 1211 1233 1216 1220 1221 1221 1230 1203.81 1208 1212.29 1216.66 1221.11 1225.7 1230.35 1235.16 1239.97 1244.84 1250.14 1215 1219 1219 1214 1220.1 1226 1208 1210 1215 1215 1216 1216 1210 1209 1226 1226 1231 1222 1221 1252 1225 1220 1230 1230 1209 1219 1219 1230.4 1204 1220 1226 1214 1216 1215 1230 1215 1215 1259
Other Experimental Properties Liquid. BP: 78-80 °C at 7 mm Hg. Index of refraction: 1.4856 at 16 °C/D. UV max (alcohol): 253.13 nm (log e 3.86) /Pulegone +/- form/
Chemical Classes Biological Agents -> Plant Oils and Extracts

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H351:Carcinogenicity
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
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.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 152.23 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 152.120115130 g/mol
Monoisotopic Mass 152.120115130 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 197
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

(+)-pulegone is the (5R)-enantiomer of p-menth-4(8)-en-3-one.