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5392-40-5

5392-40-5 structural image
Product Name: Citral
Formula: C10H16O
Synonyms: 3,7-Dimethyl-2,6-octadienal;Citral;Geranial and neral mixture;Lemonal
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Citral appears as a clear yellow colored liquid with a lemon-like odor. Less dense than water and insoluble in water. Toxic by ingestion. Used to make other chemicals.
Color/Form Mobile pale yellow liquid
Odor Strong lemon odor
Taste Taste threshold values: Detection: 28 to 120 ppb; alpha-citral, 32 to 460 ppb; beta-citral, 30 to 460 ppb.
Boiling Point 444 °F at 760 mmHg (Decomposes) (NTP, 1992)
Melting Point Melting point <-10 °C.
Flash Point 215 °F (NTP, 1992)
Solubility 0.1 to 1 mg/mL at 64 °F (NTP, 1992)
Density 0.891 to 0.897 at 59 °F (NTP, 1992)
Vapor Density Relative vapor density (air = 1): 5.3
Vapor Pressure 5 mmHg at 194 °F ; 1 mmHg at 143.1 °F; 760 mmHg at 442 °F (NTP, 1992)
LogP 3.450
Stability/Shelf Life NOT STABLE TO ALKALIES AND STRONG ACIDS
Autoignition Temperature 225 °C
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
pH ACID VALUE: 5.0 MAX
Odor Threshold Aroma threshold values: Detection: 28 to 120 ppb; alpha-citral, 32 to 460 ppb; beta citral, 30 to 460 ppb.
Refractive Index Index of refraction = 1.4860-1.4900 at 20 °C, not optically active
Kovats Retention Index 1249 1250 1240 1239 1244 1268 1275 1244 1241 1241 1268 1246 1262 1249 1260 1223 1224.5 1249 1252 1252
Other Experimental Properties VAPOR PRESSURE: 5 MM HG @ 91-95 °C /GERANIAL/
Chemical Classes Biological Agents -> Plant Oils and Extracts

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P272:Contaminated work clothing should not be allowed out of the workplace.
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.

COMPUTED DESCRIPTORS

Molecular Weight 152.23 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 152.120115130 g/mol
Monoisotopic Mass 152.120115130 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 171
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Citral appears as a clear yellow colored liquid with a lemon-like odor. Less dense than water and insoluble in water. Toxic by ingestion. Used to make other chemicals.

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