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3302-10-1

3302-10-1 structural image
Product Name: 3,5,5-Trimethylhexanoic acid
Formula: C9H18O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Vapor Pressure 0.23 [mmHg]
Kovats Retention Index 1139
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
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.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 158.24 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 158.130679813 g/mol
Monoisotopic Mass 158.130679813 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 133
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

3,5,5-trimethyl-hexanoic acid is a medium-chain fatty acid.