cis-3-Hexenyl Hexanoate - CAS 31501-11-8
Catalog: |
BB020945 |
Product Name: |
cis-3-Hexenyl Hexanoate |
CAS: |
31501-11-8 |
Synonyms: |
hexanoic acid [(Z)-hex-3-enyl] ester; [(Z)-hex-3-enyl] hexanoate |
IUPAC Name: | [(Z)-hex-3-enyl] hexanoate |
Description: | cis-3-Hexenyl Hexanoate (CAS# 31501-11-8 ) is a useful research chemical. |
Molecular Weight: | 198.30 |
Molecular Formula: | C12H22O2 |
Canonical SMILES: | CCCCCC(=O)OCCC=CCC |
InChI: | InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5- |
InChI Key: | RGACQXBDYBCJCY-ALCCZGGFSA-N |
Boiling Point: | 253.11 °C (EPI 4.0) |
Flash Point: | 86.7°C |
Purity: | 98.0 % (sum of isomers) |
Density: | 0.886 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
LogP: | 3.46620 |
Refractive Index: | 1.433 : 1.440 at 20 deg C |
GHS Hazard Statement: | H315 (97.67%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111721867-A | Method for rapidly and nondestructively monitoring dynamic change of aroma quality in green tea drying process | 20200617 |
WO-2021209944-A1 | Odorants and compositions comprising odorants | 20200416 |
WO-2021148940-A1 | Odorants and compositions comprising odorants | 20200120 |
WO-2021128307-A1 | Flavor composition and electronic cigarette liquid containing flavor composition | 20191227 |
WO-2021110273-A1 | Encapsulated odorants based on natural amino acids | 20191205 |
PMID | Publication Date | Title | Journal |
16569059 | 20060405 | Orthonasal and retronasal perception of some green leaf volatiles used in beverage flavors | Journal of agricultural and food chemistry |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 198.161979940 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.161979940 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS