Valeraldehyde - Materials / Alfa Chemistry

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Valeraldehyde

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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

Application

Valeraldehyde serves a multifaceted purpose in both industrial and commercial applications. Primarily, it acts as a key chemical intermediate, where it undergoes processes such as hydrogenation to produce 1-pentanol, and oxidation to form valeric acid. Additionally, valeraldehyde is integral in the creation of flavoring compounds, thanks to its distinctive warm, fruity, nutty, and slightly berry aroma. This makes it valuable in the formulation of fragrances and as a top note in food and beverage flavorings, contributing a unique identity upon first impression. Beyond these uses, it also plays a role in resin chemistry and serves as a rubber accelerator. Valeraldehyde is employed in scientific studies as a gaseous standard and in the examination of sorptive loss patterns for volatile compounds, showcasing its versatility and importance across various fields.

Color/Form

Liquid;Colorless liquid

Complexity

32.9

Covalently-Bonded Unit Count

EC Number

203-784-4

Exact Mass

86.073165g/mol

Formal Charge

Heavy Atom Count

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

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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