Propylene Glycol

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Catalog Number
ACM57556
Product Name
Propylene Glycol
Structure
Structure
CAS
57-55-6
Category
Main Products
Description
Modified alcohol (1,2-propanediol), metabolized to lactic acid in the body.
Synonyms
Propyleneglycol manufacturer
IUPAC Name
Propane-1,2-diol
Molecular Weight
76.09
Molecular Formula
C3H8O2
Canonical SMILES
CC(CO)O
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChI Key
DNIAPMSPPWPWGF-UHFFFAOYSA-N
Boiling Point
187 °C(lit.)
Melting Point
-60 °C(lit.)
Flash Point
225 °F
Density
1.036 g/mL at 25 °C(lit.)
Solubility
Soluble in water, ethanol, acetone
Appearance
Liquid
Application
All kinds of skin care products, hair care products, color cosmetics, soaps (glycerin soap).
Storage
5-30 °C
Autoignition Temperature
700 °F (USCG, 1999);700 °F (371 °C);420 °C
Color/Form
Colorless viscous liquid
Complexity
20.9
Composition
Propylene glycol
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes.
Defined Atom Stereocenter Count
0
EC Number
200-338-0;200-338-0;613-293-0
Exact Mass
76.052429494
Features And Benefits
Effective humectant and wetting agent preventing water loss in products and in the skinIncreases skin permeability of active ingredients as it penetrates into the outermost skin layersEmollient and lubricant propertiesExcellent solubilizer of other ingredientsIncreases spreading of creams
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heat of Vaporization
168.6 cal/g at BP
Heavy Atom Count
5
HS Code
2905320000
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
ICSC Number
0321
LogP
-0.92 (LogP);-0.92;log Kow = -0.92;-0.92;-0.92
Monoisotopic Mass
76.052429494
NSC Number
69860;35749;35748;35747
Odor
Practically odorless
Other Experimental
Specific heat: 0.590 cal/g at 20 °C; hygroscopic;Heat of vaporization = 15.4 kcal/mol at 25 °C; heat of formation = -116.1 kcal/mol at 25 °C (liquid); heat capacity = 45.1 kcal/mol at 20 °C; viscosity = 56.0 cP at 20 °C; surface tension = 36.51 dyne/cm at 25 °C;BP: 88-90 °C at 12 mm Hg; 187-189 °C at 760 mm Hg. Specific optical rotation: -15 deg at 20 °C /l-form/;BP: 95-96 °C at 14 mm Hg; Specific optical rotation: +15 (neat) deg at 20 °C; Density: 1.04 at 25 °C/4/ degC /d-form/;Henry's Law constant = 1.3X10-8 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.2X10-11 cu cm/molec-sec at 25 °C
Physical State
Viscous liquid
pKa
14.49±0.20(Predicted)
Refractive Index
n20/D 1.432(lit.)
Rotatable Bond Count
1
RTECS Number
TY2000000
Stability
At cool temperatures, propylene glycol is stable in a well-closed container, but at high temperatures, in the open, it tends to oxidize, giving rise to products such as propionaldehyde, lactic acid, pyruvic acid, and acetic acid. Propylene glycol is chemically stable when mixed with ethanol (95%), glycerin, or water; aqueous solutions may be sterilized by autoclaving.
Storage Conditions
5-30 °C
Topological Polar Surface Area
40.5 Ų
Vapor Density
2.62 (NTP, 1992) (Relative to Air);Relative vapor density (air = 1): 2.6;2.62
Vapor Pressure
0.08 mm Hg at 68 °F ; 0.13 mm Hg at 77° F (NTP, 1992);0.13 mmHg;0.13 mm Hg at 25 °C /Extrapolated/;Vapor pressure, Pa at 20 °C: 10.6;0.08 mmHg
Viscosity
0.581 cP at 20 °C
XLogP3
-0.9
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