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(R)-(-)-1,2-Propanediol structure
(R)-(-)-1,2-Propanediol structure

(R)-(-)-1,2-Propanediol

Iupac Name:(2R)-propane-1,2-diol
CAS No.:4254-14-2
Molecular Weight:76.095
1. Names and Identifiers
1.1 Name
(R)-(-)-1,2-Propanediol
1.2 Synonyms

(2R)-PROPANE-1,2-DIOL (R)-(-)-1,2-Propyleneglycol (R)-(-)-PROPANEDIOL (R)-(-)-PROPYLENE GLYCEROL (R)-(-)-PROPYLENE GLYCOL (R)-1,2-PROPANEDIOL (R)-propane-1,2-diol

1.3 CAS No.
4254-14-2
1.4 CID
259994
1.5 EINECS(EC#)
610-038-5
1.6 Molecular Formula
C3H8O2 (isomer)
1.7 Inchi
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
1.8 InChkey
DNIAPMSPPWPWGF-GSVOUGTGSA-N
1.9 Canonical Smiles
CC(CO)O
1.10 Isomers Smiles
C[C@H](CO)O
2. 3D Conformer
3. Properties
3.1 Density
1.04
3.2 Melting Point
-57C
3.3 Boiling Point
187℃
3.4 Refractive Index
1.431-1.433
3.5 Flash Point
107℃
3.6 Alpha
-17 o (C=NEAT)
3.7 Appearance
colorless to light yellow liquid
3.8 Chemical Properties
Colorless to light yellow liqui
3.9 Solubility
Miscible with acetone, chloroform, ethanol (95%),glycerin, and water; soluble at 1 in 6 parts of ether; not misciblewith light mineral oil or fixed oils, but will dissolve someessential oils.
4. Use and Manufacturing
4.1 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria by 1 of 2 companies. For more detailed information, please visit ECHA C&L website

Of the 1 notification(s) provided by 1 of 2 companies with hazard statement code(s):

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P264, P280, P305+P351+P338, P33, and P313
4.2 Produe Method
Propylene is converted to chlorohydrin by chlorine water andhydrolyzed to 1,2-propylene oxide. With further hydrolysis, 1,2-propylene oxide is converted to propylene glycol.
4.3 Storage
At cool temperatures, propylene glycol is stable in a well-closedcontainer, but at high temperatures, in the open, it tends to oxidize,giving rise to products such as propionaldehyde, lactic acid, pyruvicacid, and acetic acid. Propylene glycol is chemically stable whenmixed with ethanol (95%), glycerin, or water; aqueous solutionsmay be sterilized by autoclaving.Propylene glycol is hygroscopic and should be stored in a wellclosedcontainer, protected from light, in a cool, dry place.
5. Safety and Handling
5.1 Hazard Codes
F; Xn
5.2 Risk Statements
R20
5.3 Safety Statements
S24/25
5.4 Incompatibilities
Propylene glycol is incompatible with oxidizing reagents such aspotassium permanganate.
5.5 Safety

Safty information about?(R)-(-)-1,2-Propanediol (CAS NO.4254-14-2) is:
Hazard Codes:?FlammableF,HarmfulXn
Risk Statements 20-65-15-10?
R20:Harmful by inhalation.?
R65:Harmful: may cause lung damage if swallowed.?
R15:Contact with water liberates extremely flammable gases.?
R10:Flammable.
Safety Statements: 24/25-43-7/8?
S24/25:Avoid contact with skin and eyes.?
S43:In case of fire use ... (there follows the type of fire-fighting equipment to be used.)?
S7/8:Keep container tightly closed and?dry.
WGK Germany: 1
F: 3

5.6 Sensitive
Hygroscopic
5.7 Specification

?(R)-(-)-1,2-Propanediol , its cas register number is 4254-14-2. It also can be called (R)-(-)-1,2-Propyleneglycol; (R)-(-)-Propylene glycerol ; (R)-(-)-Propylene glycol .It is a?colorless to light yellow liquid.

6. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

10. Computational chemical data
  • Molecular Weight:76.095g/mol
  • Molecular Formula:C3H8O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.9
  • Exact Mass:76.052
  • Monoisotopic Mass:76.052
  • Complexity:20.9
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:5
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAAAgAA AAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAQAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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