929-77-1
Product Name:
BEHENIC ACID METHYL ESTER
Formula:
C23H46O2
Synonyms:
Behenic acid methyl ester;Docosanoic acid methyl ester;Methyl docosanoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [HSDB] White powder; [MSDSonline] |
|---|---|
| Color/Form | NEEDLES FROM ACETONE |
| Boiling Point | 224-225 °C @ 15 MM HG |
| Melting Point | 54 °C |
| Solubility | INSOL IN WATER; SOL IN ALCOHOL, ETHER |
| Vapor Pressure | 0.0000013 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4339 @ 60 °C/D |
| Collision Cross Section | 156.13 Ų [M-H]- [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 2531 2502 2511 2512 2510 2517 2491.4 2492.5 2493.6 2494.7 2495.9 2497.1 2498.3 2513 2515 2515 2509 2511 2512 2504 2517 2511 2511 2514.9 2508.8 2514 419.2 420.5 420.6 |
| Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H320:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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 | 354.6 g/mol |
|---|---|
| XLogP3 | 11.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 21 |
| Exact Mass | 354.349780706 g/mol |
| Monoisotopic Mass | 354.349780706 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 263 |
| 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 behenate is a fatty acid methyl ester.