Diethyl Allylmalonate - CAS 2049-80-1
Catalog: |
BB016008 |
Product Name: |
Diethyl Allylmalonate |
CAS: |
2049-80-1 |
Synonyms: |
2-prop-2-enylpropanedioic acid diethyl ester; diethyl 2-prop-2-enylpropanedioate |
IUPAC Name: | diethyl 2-prop-2-enylpropanedioate |
Description: | Diethyl Allylmalonate (CAS# 2049-80-1) is an important intermediate in the synthesis of vitamins B1 and B6, barbiturates, non-steroidal anti-inflammatory agents, other pharmaceuticals, agrochemicals and flavor/fragrance compounds. |
Molecular Weight: | 200.23 |
Molecular Formula: | C10H16O4 |
Canonical SMILES: | CCOC(=O)C(CC=C)C(=O)OCC |
InChI: | InChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3 |
InChI Key: | GDWAYKGILJJNBB-UHFFFAOYSA-N |
Boiling Point: | 222-223 °C (lit.) |
Flash Point: | 159.8 °CF - closed cup |
Purity: | 95 % |
Density: | 1.015 g/mL at 25 °C (lit.) |
MDL: | MFCD00009155 |
LogP: | 1.30490 |
Refractive Index: | n20/D 1.431 (lit.) |
GHS Hazard Statement: | H315 (100%): 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 |
JP-2021070772-A | Infrared transmissive curable composition, cured product thereof and optical semiconductor device | 20191101 |
WO-2021084980-A1 | Infrared-transmissive curable composition, cured product therefrom, and optical semiconductor device | 20191101 |
JP-2020169254-A | Additive-curing silicone adhesive composition | 20190402 |
WO-2020202932-A1 | Addition-curable silicone adhesive composition | 20190402 |
JP-2020158548-A | Method of manufacturing a laminate | 20190325 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.10485899 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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