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13171-00-1

13171-00-1 structural image
Product Name: Celestolide
Formula: C17H24O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Almost white crystals
Odor Musky, sweet, animal odor
Taste Solvent-like with a dirty, musty brown, earthy nuance
Boiling Point BP: 304.5 °C at 101.325 kPa
Melting Point 78.5 °C
Solubility In water, 0.015 mg/L
Density 1.06 at 21 °C
Vapor Pressure VP: 0.05 Pa at 21 °C (3.75X10-3 mm Hg)
LogP log Kow = 5.7
Henry's Law Constant Henry's Law constant = 1.78X10-2 atm-cu m/mol (1801 Pa)
Kovats Retention Index 1705.1 1706
Other Experimental Properties Light-stable

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract 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.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P330:Rinse mouth.
P362:Take off contaminated clothing and wash before reuse.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
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.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 244.37 g/mol
XLogP3 5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 244.182715385 g/mol
Monoisotopic Mass 244.182715385 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 334
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4-Acetyl-6-tert-butyl-1,1-dimethylindane is a member of indanes.