CAS 16606-55-6 (4R)-4-methyl-1,3-dioxolan-2-one (HCID 641813)

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Basic information

CAS: 16606-55-6
Standard SMILES: C[C@@H]1COC(=O)O1
InChIKey: RUOJZAUFBMNUDX-GSVOUGTGSA-N
Molecular formula: C4H6O3
Average molar mass: 102.09 g/mol
Monoisotopic mass: 102.03169405

Names & identifiers

Preferred name: (4R)-4-methyl-1,3-dioxolan-2-one
IUPAC: (4R)-4-methyl-1,3-dioxolan-2-one
English name: (R)-(+)-Propylene carbonate
Molecular formula: C4H6O3
Molecular weight: 102.09

Names & synonyms

16606-55-6(4R)-4-methyl-1,3-dioxolan-2-oneRefChem:69525437-320-9605-425-0(R)-(+)-Propylene carbonate(R)-4-Methyl-1,3-dioxolan-2-one(R)-Propylene Carbonate(R)-1,2-PROPYLENE CARBONATE1,3-Dioxolan-2-one, 4-methyl-, (4R)-MFCD00798265(R)-1,2-Propanediol cyclic carbonate

Show more names

R-Prpylene Carbonate(R)-PropandiolcarbonateR/S-Propylene Carbonate(R)-PropyleneCarbonate>(R)-(+)-PROPYLENE CARBONATE(R)-1,2-PROPANEDIOL CARBONATETenofovirdisoproxil Impurity 38(R)-Propylene Carbonate,99%e.e.

Tenofovir Impurity 59(R)-(+)-Propylene carbonate, 98%AKOS015900872GS-3355(R)-(+)-4-Methyl-1,3-dioxolan-2-one(R)-PropyleneCarbonate(R)-(+)-1,2-Propylene Carbonate(+)-Carbonic Acid Cyclic Propylene Ester

Database identifiers

CAS: 16606-55-6
PubChem CID: 641813
DTXSID: DTXSID901301204
UNII: TB7VCB8NG4
EC Number: 437-320-9、605-425-0
Nikkaji: J258.596K

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 88.9

Physicochemical properties

Boiling point: 240 °C · 240 °C(lit.)
Density: 1.189 g/mL · 1.189 g/mL at 25 °C(lit.)
vapor pressure: 0.59 psi · 0.59 psi ( 20 °C)
refractive index: 20 · n20/D 1.422(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Sparingly)
form: Oil
color: Clear Colourless to Pale Yellow
Specific Gravity: 1.189 · 1.189
optical activity: 20 · [α]20/D +2°, neat
Water Solubility: 175 g/L · 175 g/L (25 ºC)
InChI: InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m1/s1
InChIKey: RUOJZAUFBMNUDX-GSVOUGTGSA-N
SMILES: O1C[C@@H](C)OC1=O

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9549

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Safety data

wgk: 3
rtecs: FF9650000
hs_code: 29329990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H319-H335
REACH Registrations: Inactive
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Description(R)-(+)-Propylene carbonate, also known as (R)-1,2-Propanediol cyclic carbonate, presents as a colorless to pale yellow liquid. This compound should keep the container tightly closed and stored in a cool and dark place. For best results, store under inert gas, protected from moisture, as this substance is moisture-sensitive. (R)-(+)-Propylene carbonate is incompatible with oxidizing agents and acids. This chemical causes skin irritation as well as serious eye irritation.

Uses(R)-1,2-Propylene Carbonate (cas# 16606-55-6) is a compound useful in organic synthesis.