Tiglic acid - CAS 80-59-1
Catalog: |
BB036529 |
Product Name: |
Tiglic acid |
CAS: |
80-59-1 |
Synonyms: |
trans-2,3-Dimethylacrylic acid; trans-2-Methyl-2-butenoic acid |
Application: |
ethyl 4-methyl-5-oxo-2H-1,2-oxazole-3-carboxylate (cas# 84280-59-1) is a useful research chemical. |
IUPAC Name: | (E)-2-methylbut-2-enoic acid |
Description: | Tiglic acid is a natural compound isolated from Angelica sinensis. It shows antiviral activity toward herpes simplex virus type 1. |
Molecular Weight: | 100.12 |
Molecular Formula: | C5H8O2 |
Canonical SMILES: | CC=C(C)C(=O)O |
InChI: | InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+ |
InChI Key: | UIERETOOQGIECD-ONEGZZNKSA-N |
Boiling Point: | 198.4 °C |
Melting Point: | 61-65°C |
Flash Point: | 95.9°C |
Purity: | 98 % |
Density: | 0.969 g/cm3 |
Appearance: | Powder |
Storage: | Refrigerator (+4°C) |
Decomposition: | When heated to decomposition it emits toxic fumes of /sulfuric oxides/, /nitrogen oxides/, And /hydrogen chloride |
LogP: | 1.03720 |
Refractive Index: | 1.45 |
Vapor Pressure: | 1.33X10-1 mm Hg at 25 °C |
GHS Hazard Statement: | H315 (97.08%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480221-A | Liquid alkali-free accelerator and preparation method and application thereof | 20210802 |
CN-113308203-A | Synthesis process of high-temperature-resistant photocuring acrylic foam adhesive tape | 20210715 |
CN-113462268-A | Environment-friendly varnish for corrosion prevention of petroleum pipeline and preparation method thereof | 20210714 |
CN-113416576-A | Compound demulsifier and application thereof | 20210630 |
CN-113337219-A | Antibacterial and antiviral aldehyde-removing coating and preparation method thereof | 20210628 |
PMID | Publication Date | Title | Journal |
22924480 | 20120928 | Mammalian multidrug resistance lipopentasaccharide inhibitors from Ipomoea alba seeds | Journal of natural products |
22489165 | 20120101 | A high molar extinction coefficient bisterpyridyl homoleptic ru(II) complex with trans-2-methyl-2-butenoic acid functionality: potential dye for dye-sensitized solar cells | International journal of molecular sciences |
21963625 | 20110930 | Synthesis, photophysical and electrochemical properties of a mixed bipyridyl-phenanthrolyl ligand Ru(II) heteroleptic complex having trans-2-methyl-2-butenoic acid functionalities | Molecules (Basel, Switzerland) |
22097098 | 20110515 | Chemopreventive activity of sesquiterpene lactones (SLs) from yacon against TPA-induced Raji cells deformation | Pakistan journal of biological sciences : PJBS |
21220428 | 20110325 | Selective orthosteric free fatty acid receptor 2 (FFA2) agonists: identification of the structural and chemical requirements for selective activation of FFA2 versus FFA3 | The Journal of biological chemistry |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 100.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS