2-Methylene-1,3-propanediol

Inquiry

Molecular Formula:

C4H8O2

Molecular Weight:

88.11

CAS Number:

3513-81-3

Catalog Number:

3513-81-3

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 °C / 2 mmHg (lit.)

Flash Point

230.0 °CF - closed cup

Purity

97 %

Density

1.081 g/mL at 25 °C (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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

88.052429494 g/mol

Monoisotopic Mass

88.052429494 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

43.5

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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The dilution calculator equation

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