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methyl tridecanoate
tridecanoic acid, methyl ester

Supplier Sponsors

Name:methyl tridecanoate
CAS Number: 1731-88-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:217-054-8
FDA UNII: O2H463RING
Nikkaji Web:J574F
Beilstein Number:1769695
MDL:MFCD00008977
XlogP3:6.30 (est)
Molecular Weight:228.37556000
Formula:C14 H28 O2
BioActivity Summary:listing
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
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86500 to 0.87000 @ 20.00 °C.
Pounds per Gallon - (est).: 7.206 to 7.248
Refractive Index:1.43300 to 1.43600 @ 20.00 °C.
Melting Point: 5.00 to 7.00 °C. @ 760.00 mm Hg
Boiling Point: 288.00 to 290.00 °C. @ 760.00 mm Hg
Boiling Point: 131.00 °C. @ 4.00 mm Hg
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 5.880 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store under nitrogen.
Storage:refrigerate in tightly sealed containers. store under nitrogen.
Soluble in:
 alcohol
 water, 0.3631 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.
Methyl Tridecanoate
Inoue Perfumery
METHYL TRIDECANOATE
Santa Cruz Biotechnology
For experimental / research use only.
Methyl Tridecanoate
Sigma-Aldrich: Sigma
For experimental / research use only.
Methyl tridecanoate ≥97% (GC)
TCI AMERICA
For experimental / research use only.
Methyl Tridecanoate >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 39 - Wear eye/face protection.
 
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:
intravenous-mouse LDLo 48 mg/kg
Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for methyl tridecanoate usage levels up to:
 not for fragrance use.
 
Recommendation for methyl tridecanoate 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):1731-88-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15608
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl tridecanoate
Chemidplus:0001731880
RTECS:YD3950000 for cas# 1731-88-0
 
References:
 methyl tridecanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):15608
Pubchem (sid):134980207
Pherobase:View
 
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
Golm Metabolome Database:Search
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.90.5050
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
 found in nature
 
Synonyms:
 methyl N-tridecanoate
 tridecanoic acid methyl ester
 tridecanoic acid, methyl ester
 
 
Notes:
None found
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