111-12-6
Product Name:
METHYL 2-OCTYNOATE
Formula:
C9H14O2
Synonyms:
Methyl heptine carbonate;NSC 72098
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless to slightly yellow liquid; Powerful, unpleasant odour. Violet like when diluted. |
|---|---|
| Boiling Point | 217.00 to 220.00 °C. @ 760.00 mm Hg |
| Solubility | Soluble in most fixed oils; Slightly soluble in propylene glycol; Insoluble in water, glycerin |
| Density | 0.919-0.924 |
| Refractive Index | 1.443-1.449 |
| Kovats Retention Index | 1210 1211 1212 1212 1213 1213 1202 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 154.21 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 154.099379685 g/mol |
| Monoisotopic Mass | 154.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 171 |
| 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
Methyl 2-octynoate is a fatty acid ester.