50746-10-6
Product Name:
3-MERCAPTO-3-METHYL-1-BUTYL-1-FORMATE
Formula:
C6H12O2S
Synonyms:
3-Mercapto-3-methyl-1-butyl-1-formate;Formic acid 3-mercapto-3-methylbutyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless liquid |
|---|---|
| Boiling Point | 181.00 °C. @ 760.00 mm Hg |
| Solubility | soluble in water at 1000 mg/L, white petrolatum 250 g/kg at 20oC, acetone and 95% ethanol at 20oC |
| Density | 1.03 |
| Refractive Index | 1.462-1.472 |
| Kovats Retention Index | 1027 1020 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H372:Specific target organ toxicity, repeated exposure H413:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. 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. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 148.23 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 148.05580079 g/mol |
| Monoisotopic Mass | 148.05580079 g/mol |
| Topological Polar Surface Area | 27.3 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 91.1 |
| 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
3-Mercapto-3-methylbutyl formate is a carboxylic ester.