3-Allyloxy-1,2-propanediol

Inquiry

Molecular Formula:

C6H12O3

Molecular Weight:

132.16

CAS Number:

123-34-2

Catalog Number:

123-34-2

Product Information

Molecular Formula:

C6H12O3

Molecular Weight:

132.16

Description

3-Allyloxy-1,2-propanediol is a useful synthetic intermediate for the preparation of doxorubicin analogues.

Synonyms

1-(Allyloxy)-2,3-propanediol; 1-Allyloxy-2,3-dihydroxypropane; 1-O-Allylglycerol; 1-O-Prop-2-enylglycerol; 3-(2-Propenyloxy)-1,2-propanediol; Allyl chlorohydrin ether; Glycerin 1-allyl ether; Glycerol 1-allyl ether; Glycerol 1-monoallyl ether; Glycerol α-allyl ether; Glycerol α-monoallyl ether; NSC 59722; 3-(Allyloxy)propane-1,2-diol

IUPAC Name

3-prop-2-enoxypropane-1,2-diol

Canonical SMILES

C=CCOCC(CO)O

InChI

InChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2

InChI Key

PAKCOSURAUIXFG-UHFFFAOYSA-N

Boiling Point

234.1±0.0°C at 760 mmHg

Melting Point

-100°C

Flash Point

134 °C

Purity

95%

Density

1.068 g/mL at 25°C

Appearance

Clear Colorless to Light Yellow Viscous Liquid

Storage

Store at RT

Refractive Index

n20/D 1.462 (lit.)

Safety Information

Hazards

H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

XLogP3

-0.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

132.078644241 g/mol

Monoisotopic Mass

132.078644241 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

72.7

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-113999384-A	Functional composite polyether and preparation method and application thereof	2021-11-01
CN-113650320-A	Miniature wave-transmitting cover and preparation method thereof	2021-10-21
CN-113696573-A	Toughened home decoration base film and preparation method thereof	2021-10-08
CN-113787802-A	PET (polyethylene terephthalate) film for solar cell back panel and preparation method thereof	2021-09-14
CN-113717385-A	Glass polymer with shearing hardening characteristic	2021-09-09
CN-113698573-A	Preparation method of anti-fouling coating on glass surface	2021-09-07
CN-113563588-A	Hydroxyl-terminated siloxane, silicon polyurethane containing same and preparation method thereof	2021-07-28
CN-113527997-A	Single-component asphalt polyurethane waterproof coating compatible with asphalt-based waterproof coiled material and preparation method thereof	2021-07-19
CN-113150614-A	Radiation-curable ink-jet fluid, spray ink and application thereof	2021-05-28
CN-113201233-A	Photochromic organic pigment and preparation method thereof	2021-04-29

Literatures

PMID	Publication Date	Title	Journal
18681431	2008-09-03	Janus-type dendrimer-like poly(ethylene oxide)s	Journal of the American Chemical Society
17909742	2008-01-01	Formulation of hydrophilic non-aqueous gel: drug stability in different solvents and rheological behavior of gel matrices	Pharmaceutical research
12919045	2003-08-22	Direct synthesis of plasmenylcholine from allyl-substituted glycerols	The Journal of organic chemistry

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The dilution calculator equation

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