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100-50-5

100-50-5 structural image
Product Name: 3-Cyclohexene-1-carboxaldehyde
Formula: C7H10O
Synonyms: 1,2,3,6-Tetrahydrobenzaldehyde;4-Formyl-1-cyclohexene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1,2,3,6-tetrahydrobenzaldehyde appears as a colorless liquid. Less dense than water and slightly soluble in water. Hence floats on water. Irritates skin, eyes and mucous membranes. Used to make fabrics water resistant, and to make other chemicals.
Color/Form Liquid
Boiling Point 105 °C
Melting Point 2 °C
Flash Point 135 °F (NFPA, 2010)
Solubility Soluble in acetone and methanol, slightly soluble in cabon tetrachloride.
Density 0.9694 @ 20 °C/4 °C
Vapor Pressure 1.8 [mmHg]
Refractive Index MAXIMUM ABSORPTION (ETHANOL): 231 NM (LOG E= 4.12); INDEX OF REFRACTION: 1.5005 @ 20 °C/D
Kovats Retention Index 1490
Other Experimental Properties Freezing point = -100 °C
Chemical Classes Other Classes -> Benzaldehydes

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H312:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 110.15 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 110.073164938 g/mol
Monoisotopic Mass 110.073164938 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 105
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1,2,3,6-tetrahydrobenzaldehyde appears as a colorless liquid. Less dense than water and slightly soluble in water. Hence floats on water. Irritates skin, eyes and mucous membranes. Used to make fabrics water resistant, and to make other chemicals.