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Valeraldehyde

Catalog Number
ACMA00017425
Product Name
Valeraldehyde
Category
Polymers
Description
Valeraldehyde appears as a colorless liquid. Slightly soluble in water and less dense than water. Flash point 54°F. Vapors heavier than air. Used to make artificial flavorings and rubber.;Liquid;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless to pale yellow liquid;Colorless liquid with a strong, acrid, pungent odor.;Colorless liquid with a strong, acrid, pungent odor.
IUPAC Name
pentanal
Molecular Weight
86.13g/mol
Molecular Formula
C5H10O;CH3(CH2)3CHO;C5H10O
Canonical SMILES
CCCCC=O
InChI
InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
InChI Key
HGBOYTHUEUWSSQ-UHFFFAOYSA-N
Boiling Point
216 to 217 °F at 760 mm Hg (NTP, 1992);103.0 °C;103 °C;103 °C;217°F;217°F
Melting Point
-132.7 °F (NTP, 1992);-91.5 °C;Fp -92 °;-91.5 °C;-92°C;-91 °C;-132.7°F;-133°F
Flash Point
53.6 °F (NTP, 1992);53.6 °F (Closed cup);54 °F (12 °C) open cup;12 °C o.c.;53.6°F;54°F
Density
0.811 at 68 °F (USCG, 1999);d204 0.81;0.8095 g/cu cm at 20 °C;Relative density (water = 1): 0.8;0.805-0.809;0.811;0.81
Solubility
less than 1 mg/mL at 68° F (NTP, 1992);0.14 M;11.7 mg/mL at 25 °C;Soluble in ethanol, ethyl ether;SOL IN PROPYLENE GLYCOL; OILS;1.35% in water;In water, 1.17X10+4 mg/L at 20 °C;11.7 mg/mL at 25 °C;Solubility in water, g/100ml at 20 °C: 1.4 (moderate);1 ml in 1 ml 95% alcohol (in ethanol);Slight
Color/Form
Liquid;Colorless liquid
Complexity
32.9
Covalently-Bonded Unit Count
1
EC Number
203-784-4
Exact Mass
86.073165g/mol
Formal Charge
0
Heavy Atom Count
6
ICSC Number
1417
Log P
log Kow = 1.31 (est);1.31
MeSH Entry Terms
pentanal;valeraldehyde;valeric acid aldehyde
Monoisotopic Mass
86.073165g/mol
NSC Number
35404
Odor
POWERFUL, ACRID, PUNGENT ODOR;Strong, acrid, pungent odor
Other Experimental
CONVERSION FACTORS: 1 MG/L EQUALS 284 PPM; 1 PPM EQUALS 3.5 MG/CU M;Henry's Law constant = 1.47X10-4 atm-cu m/mole at 25 °C;Hydroxyl radical reaction rate constant = 2.85X10-11 cu-cm/molc sec at 25 °C
Refractive Index
n20D 1.3947;Index of refraction = 1.3944 at 20 °C/D;Index of refraction = 1.3942 at 20 °C;1.390-1.395
Rotatable Bond Count
3
RTECS Number
YV3600000
UNII
B975S3014W
UN Number
2058;2058;2058;2058;2058
Vapor Density
3 (NTP, 1992) (Relative to Air);3.0 (Air = 1);Relative vapor density (air = 1): 3;3
Vapor Pressure
50 mm Hg at 77 °F (NTP, 1992);26.00 mmHg;26 mm Hg at 20 °C;Vapor pressure, kPa at 20 °C: 3.4;50 mmHg at 77°F;26 mmHg
Viscosity
0.54 mPa-s at 20 °C
XLogP3
1.1
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