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camonal
2-(2-methylpropyl)-5-methyl 1,3-dioxane

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Name:5-methyl-2-(2-methylpropyl)-1,3-dioxane
CAS Number: 166301-22-0Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J2.596.222B
XlogP3-AA:2.30 (est)
Molecular Weight:158.24086000
Formula:C9 H18 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:2-isobutyl-4-methyl 1,3-dioxane
CAS Number: 166301-21-9
ECHA ELINCS - REACH Pre-Reg:426-130-1
FDA UNII: Search
Molecular Weight:158.24086000
Formula:C9 H18 O2
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Flash Point: 138.00 °F. TCC ( 59.00 °C. )
logP (o/w): 3.070
Soluble in:
 alcohol
 water, 120 mg/L @ 20 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,3-Dioxane, 5-methyl-2-(2-methylpropyl)-, cis-
 
Safety Information:
European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 38 - Irritating to skin.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 37 - Wear suitable gloves.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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:
oral-rat LD50 > 2000 mg/kg
(McRae, 1996b)

Dermal Toxicity:
skin-rat LD50 > 2000 mg/kg
(McRae, 1996a)

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 camonal 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):166301-22-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :23513560
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
5-methyl-2-(2-methylpropyl)-1,3-dioxane
Chemidplus:0166301220
2-isobutyl-4-methyl 1,3-dioxane
Chemidplus:0166301219
 
References:
 5-methyl-2-(2-methylpropyl)-1,3-dioxane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):23513560
Pubchem (sid):125740354
 2-isobutyl-4-methyl 1,3-dioxane
Pubchem (cas):166301-21-9
 
Other Information:
HMDB (The Human Metabolome Database):Search
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-isobutyl-4-methyl 1,3-dioxane
2-isobutyl-5-methyl 1,3-dioxane
5-methyl-2-(2-methylpropyl)-1,3-dioxane
2-(2-methylpropyl)-5-methyl 1,3-dioxane
 
 
Notes:
None found
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