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2-methyl octanoic acid
octanoic acid, 2-methyl-

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Name:2-methyloctanoic acid
CAS Number: 3004-93-1Picture of molecule3D/inchi
Other(deleted CASRN):128441-05-4
ECHA EINECS - REACH Pre-Reg:221-104-4
FDA UNII: J9RJN5ZZ0S
Nikkaji Web:J205.301B
MDL:MFCD00195640
XlogP3:3.40 (est)
Molecular Weight:158.24086000
Formula:C9 H18 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 253.00 to 254.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.006000 mmHg @ 25.00 °C. (est)
Flash Point: 265.00 °F. TCC ( 129.70 °C. ) (est)
logP (o/w): 3.089 (est)
Soluble in:
 alcohol
 water, 195.5 mg/L @ 25 °C (est)
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.
2-Methyloctanoic Acid
CJ Latta & Associates
2-METHYL OCTANOIC ACID
Nagar Haveli Perfumes & Aromatics
2-Methyl Octanoic Acid
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methyloctanoic Acid
 
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:
natural substances and extractives
Recommendation for 2-methyl octanoic acid usage levels up to:
 not for fragrance use.
 
Recommendation for 2-methyl octanoic acid 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):3004-93-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :94251
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-methyloctanoic acid
Chemidplus:0003004931
 
References:
 2-methyloctanoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):94251
Pubchem (sid):135050039
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 cloudberry
Search Trop Picture
 
Synonyms:
alpha-methyl caprylic acid
alpha-methylcaprylic acid
2-methyloctanoic acid
 octanoic acid, 2-methyl-
 
 
Notes:
None found
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