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6-methoxy-2,6-dimethyl octanal

Chemical Structure

General Material Information

Preferred name 6-methoxy-2,6-dimethyl octanal
Trivial Name 6-Methoxy-2,6-dimethyloctanal
Short Description calypsone
Formula C11 H22 O2
CAS Number 929253-05-4
FDA UNII Search
xLogP3-AA 2.30 (est)
NMR Predictor External link
Synonyms
  • calypsone
  • 6-methoxy-2,6-dimethyloctanal
  • octanal, 6-methoxy-2,6-dimethyl-
  • 6-Methoxy-2,6-dimethyloctanal

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

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Literature & References

6-methoxy-2,6-dimethyloctanal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):24755581
Pubchem (sid):163295040
Publications by Info
Calypsone
Publications by Google Patents
Adds marine, sea, ozone, green, fruity, citrus odour note to perfumes, household products, laundry products, body care products and cosmetics
Publications by US Patents
7,790,668 - 2-methoxy-2,6-dimethyloctanal and its use as a fragrance ingredient

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
CHEBI:View
HMDB (The Human Metabolome Database):Search
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 186.29473876953
Specific gravity @ 25 °C
Pounds per Gallon
Vapor Pressure 0.04 mmHg @ 25 °C
Flash Point TCC Value 78.4 °C TCC
logP (o/w) 2.176 est
Solubility
water, 203.2 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Herbal
marine, seashore, ozone, green, fruity, citrus
Odor strength medium
Substantivity 20 hour(s) at 100.00 %
General comment At 100.00 %. marine seashore ozone green fruity citrus

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 6-methoxy-2,6-dimethyl octanal 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):929253-05-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :24755581
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
6-methoxy-2,6-dimethyloctanal
Chemidplus:0929253054