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isooctanal diethyl acetal
isovertal

Supplier Sponsors

Name:1,1-diethoxy-6-methylheptane
CAS Number: 69178-43-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:273-905-3
FDA UNII: Search
MDL:MFCD01310378
XlogP3-AA:4.00 (est)
Molecular Weight:202.33762000
Formula:C12 H26 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Perfumer and Flavorist:Search
Google Patents:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 215.00 to 216.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.184000 mmHg @ 25.00 °C. (est)
Flash Point: 127.00 °F. TCC ( 52.78 °C. )
logP (o/w): 3.923 (est)
Soluble in:
 alcohol
 water, 14.01 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoOctane,1,1-diethoxy-
Grau Aromatics
ISOVERTAL 411 L
SRS Aromatics
ISOVERTAL 411 L
 
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 isooctanal diethyl 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):69178-43-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :112252
National Institute of Allergy and Infectious Diseases:Data
1,1-diethoxy-6-methylheptane
Chemidplus:0069178434
 
References:
 1,1-diethoxy-6-methylheptane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:69178-43-4
Pubchem (cid):112252
Pubchem (sid):135070532
 
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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,1-diethoxy-6-methylheptane
1,1-diethoxyisooctane
iso-octanal diethylacetal
isooctane, 1,1-diethoxy-
isovertal
isovertal 411 L (Grau)
 
 
Notes:
None found
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