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acetaldehyde methyl hexyl acetal

Chemical Structure

General Material Information

Preferred name acetaldehyde methyl hexyl acetal
Trivial Name 1-(1-Methoxyethoxy)hexane
Short Description hexane, 1-(1-methoxyethoxy)-
Formula C9 H20 O2
CAS Number 54340-90-8
ECHA Number 259-114-6
FDA UNII Search
Nikkaji Number J112.976G
xLogP3-AA 2.80 (est)
NMR Predictor External link
Synonyms
  • acetaldehyde, methyl hexyl acetal
  • hexane, 1-(1-methoxyethoxy)-
  • 1-(1-methoxyethoxy) hexane
  • 1-(1-methoxyethoxy)hexane
  • strawberry acetal 2070 P
  • 1-(1-Methoxyethoxy)hexane

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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 160.25680541992
Specific gravity @ 25 °C
Pounds per Gallon 6.865 to 7.031
Refractive Index 1.395 to 1.415 @ 20 °C
Boiling Point 176 to 177°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 1.474 mmHg @ 25 °C
Flash Point TCC Value 40.6 °C TCC
logP (o/w) 2.55 est
Solubility
alcohol Yes
water, 352.3 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Green
green, cortex, herbal, nasturtium
Odor strength medium
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1986) At 100.00 %. green cortex herbal nasturtium

Potential Uses

Applications
Odor purposes Apple, Fresh and clean, Fruit, Grape, Green, Peach, Pear, Saffron, Strawberry, Wine
Other purposes Velvety

Safety Information

Safety information

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:
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 acetaldehyde methyl hexyl acetal usage levels up to:
2.0000 % in the fragrance concentrate.
Recommendation for acetaldehyde methyl hexyl acetal flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):54340-90-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :108237
National Institute of Allergy and Infectious Diseases:Data
1-(1-methoxyethoxy)hexane
Chemidplus:0054340908