Methyl 3-methylvalerate - CAS 2177-78-8
Catalog: |
BB017144 |
Product Name: |
Methyl 3-methylvalerate |
CAS: |
2177-78-8 |
Synonyms: |
methyl 3-methylpentanoate |
IUPAC Name: | methyl 3-methylpentanoate |
Description: | Methyl 3-methylvalerate (CAS# 2177-78-8 ) is a useful research chemical. |
Molecular Weight: | 130.18 |
Molecular Formula: | C7H14O2 |
Canonical SMILES: | CCC(C)CC(=O)OC |
InChI: | InChI=1S/C7H14O2/c1-4-6(2)5-7(8)9-3/h6H,4-5H2,1-3H3 |
InChI Key: | FHASOOYJUZKVFW-UHFFFAOYSA-N |
Boiling Point: | 135.1 °C at 760 mmHg |
Density: | 0.88 g/mL at 20 °C(lit.) |
LogP: | 1.59560 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021108728-A1 | Designed bacterial compositions and uses thereof | 20191127 |
KR-20200043850-A | Light Conversion Resin Composition, Light Conversion Sheet and Display Device | 20181018 |
KR-20200043851-A | Light Conversion Resin Composition, Light Conversion Sheet and Display Device | 20181018 |
WO-2020075720-A1 | Method for producing tobacco flavor liquid, tobacco flavor liquid, method for producing ester compound, and smoking article | 20181009 |
EP-3864972-A1 | Method for producing tobacco flavor liquid, tobacco flavor liquid, method for producing ester compound, and smoking article | 20181009 |
PMID | Publication Date | Title | Journal |
15740052 | 20050309 | Identification of potent odorants in different cultivars of snake fruit [Salacca zalacca (Gaert.) Voss] using gas chromatography-olfactometry | Journal of agricultural and food chemistry |
Complexity: | 88.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS