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110-44-1

110-44-1 structural image
Product Name: Sorbic acid
Formula: C6H8O2
Synonyms: Sorbic acid;α-trans-γ-trans-Sorbic acid;(E,E)-1,3-Pentadiene-1-carboxylic acid;trans,trans-2,4-Hexadienoic acid;2,4-Hexadienic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Sorbic acid appears as white powder or crystals. Melting point 134.5 °C. Slightly acidic and astringent taste with a faint odor.
Color/Form Colorless needles or white powder
Odor Relatively odorless
Taste Relatively tasteless
Boiling Point 442 °F at 760 mmHg (decomposes) (NTP, 1992)
Melting Point 274.1 °F (NTP, 1992)
Flash Point 260 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 1.204 at 66 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 3.87 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure less than 0.01 mmHg at 68 °F ; 9.8 mmHg at 266 °F (NTP, 1992)
LogP log Kow = 1.33
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Heat of Combustion -3107 kJ/mol
Surface Tension 53.5 mN/m at 20 °C (mean surface tension of an aqueous solution of 1 g/L)
Ionization Efficiency Negative
Dissociation Constants 4.5
Kovats Retention Index 1056
Other Experimental Properties Sorbic acid begins to sublime above 60 °C.
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 112.13 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 112.052429494 g/mol
Monoisotopic Mass 112.052429494 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 123
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Sorbic acid appears as white powder or crystals. Melting point 134.5 °C. Slightly acidic and astringent taste with a faint odor.

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