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hexanal diethyl acetal

Chemical Structure

General Material Information

Preferred name hexanal diethyl acetal
Trivial Name 1,1-Diethoxyhexane
Short Description hexane, 1,1-diethoxy-
Formula C10 H22 O2
CAS Number 3658-93-3
Flavis Number 6.023
ECHA Number 222-911-4
FDA UNII Search
Nikkaji Number J102.467A
MDL MFCD00129692
COE Number 557
xLogP3-AA 3.20 (est)
NMR Predictor External link
Synonyms
  • aldehyde C-6 diethyl acetal
  • 1,1-diethoxyhexane
  • hexaldehyde diethyl acetal
  • hexanal-diethylacetal
  • hexanal, diethyl acetal
  • hexane, 1,1-diethoxy-
  • 1,1-Diethoxyhexane
  • Hexylaldehyde diacetal

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2911.00.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 174.28373718262
Specific gravity @ 25 °C
Pounds per Gallon 6.881 to 6.948
Specific gravity @ 20 °C
Pounds per Gallon 6.898 to 6.964
Refractive Index 1.402 to 1.42 @ 20 °C
Boiling Point 188 to 189°C @ 760 mm Hg
Vapor Pressure 0.804 mmHg @ 25 °C
Flash Point TCC Value 39.44 °C TCC
logP (o/w) 3.06 est
Solubility
alcohol Yes
water, 115.3 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Fermented
cognac, pear, floral, hyacinth, apple, fruity
Odor strength medium
Substantivity 4 hour(s) at 100.00 %
General comment At 100.00 %. cognac pear floral hyacinth apple fruity

Occurrences

Potential Uses

Applications
Odor purposes Floral, Hyacinth, Pear
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for hexanal diethyl acetal usage levels up to:
2.0000 % in the fragrance concentrate.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3658-93-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :77224
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
1,1-diethoxyhexane
Chemidplus:0003658933