2-Methylene-1,3-propanediol

Product Information

Molecular Formula:
C4H8O2
Molecular Weight:
88.11
Description
2-Methylene-1,3-propanediol (CAS# 3513-81-3) is a useful research chemical.
Synonyms
2-methylenepropane-1,3-diol; 2-methylidenepropane-1,3-diol
IUPAC Name
2-methylidenepropane-1,3-diol
Canonical SMILES
C=C(CO)CO
InChI
InChI=1S/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2
InChI Key
JFFYKITVXPZLQS-UHFFFAOYSA-N
Boiling Point
93-95 ℃ / 2 mmHg (lit.)
Flash Point
230.0 ℃F - closed cup
Purity
97 %
Density
1.081 g/mL at 25 ℃ (lit.)
Refractive Index
n20/D 1.473 (lit.)
LogP
-0.47280

Safety Information

Hazards
H315 - H319 - H335
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

Computed Properties

XLogP3
-0.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
88.052429494 g/mol
Monoisotopic Mass
88.052429494 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
43.5
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

Patents

Publication Number Title Priority Date
CN-113583015-A Method for synthesizing chiral oxygen-containing eight-membered ring compound through palladium-catalyzed asymmetric allylic cycloaddition reaction 2021-08-18
CN-112191198-A Isobutylene oxyacetylation reaction device and method 2020-11-11
CN-112341314-A Method for preparing 2-methyl-1, 3-propylene glycol from isobutene 2020-11-11
CN-112191198-B Isobutylene oxyacetylation reaction device and method 2020-11-11
CN-112341314-B Method for preparing 2-methyl-1, 3-propylene glycol from isobutene 2020-11-11
WO-2022045259-A1 Resin composition 2020-08-31
KR-20220021807-A 2-methylene-1,3-propanediol derivatives including vinyl-linker, nonaqueous electrolyte for lithium secondary battery comprising the same, and lithium secondary battery 2020-08-14
CN-111718488-A Single-ended dihydroxy alkyl silicone oil for polyurethane modification and preparation method thereof 2020-08-06
WO-2021241731-A1 Resin composition, and aqueous coating fluid and multilayer structure each comprising same 2020-05-29
WO-2021235507-A1 Modified ethylene/vinyl alcohol resin and gas-barrier material 2020-05-21

Literatures

PMID Publication Date Title Journal
15228292 2004-07-08 Conformationally constrained analogues of diacylglycerol. 24. Asymmetric synthesis of a chiral (R)-DAG-lactone template as a versatile precursor for highly functionalized DAG-lactones Organic letters
15064804 2004-04-21 Preparation and antiviral properties of new acyclic, achiral nucleoside analogues: 1- or 9-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]nucleobases and 1- or 9-[2,3-dihydroxy-2-(hydroxymethyl)propyl]nucleobases Organic & biomolecular chemistry
11300904 2001-03-23 Synthesis of a fluorinated analogue of anticancer active ether lipids The Journal of organic chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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