EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-hexadecanone
methyl tetradecyl ketone

Supplier Sponsors

CAS Number: 18787-63-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:242-571-0
FDA UNII:LW5WI8V19D
Nikkaji Web:J73.681C
Beilstein Number:1769889
MDL:MFCD00042873
XlogP3:6.80 (est)
Molecular Weight:240.43024000
Formula:C16 H32 O
NMR Predictor:Predict (works with chrome 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: 96.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 43.00 to 45.00 °C. @ 760.00 mm Hg
Boiling Point: 317.00 to 318.00 °C. @ 760.00 mm Hg
Boiling Point: 138.00 to 140.00 °C. @ 2.00 mm Hg
Vapor Pressure:0.000362 mm/Hg @ 25.00 °C. (est)
Flash Point: 235.00 °F. TCC ( 112.78 °C. )
logP (o/w): 6.582 (est)
Soluble in:
 alcohol
 water, 0.1497 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:medium
Odor Description:at 100.00 %. fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Carbosynth
For experimental / research use only.
2-Hexadecanone
Penta International
2-HEXADECANONE
Santa Cruz Biotechnology
For experimental / research use only.
2-Hexadecanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-hexadecanone 98%
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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:
unreported-mouse LD50 1750 mg/kg
Journal of Medicinal Chemistry. Vol. 19, Pg. 219, 1976.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: natural substances and extractives
Recommendation for 2-hexadecanone usage levels up to:
 not for fragrance use.
 
Recommendation for 2-hexadecanone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :29251
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
hexadecan-2-one
Chemidplus:0018787638
RTECS:MM0300000 for cas# 18787-63-8
 
References:
 hexadecan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):29251
Pubchem (sid):134993227
Flavornet:18787-63-8
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31052
FooDB:FDB003052
Export Tariff Code:2914.19.0000
Typical G.C.
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
 hop
Search Trop Picture
 rue oil cuba @ 0.36%
Data GC Search Trop Picture
 xylopia aromatica (lam.) mart. leaf oil cuba @ 1.00%
Data GC Search Trop Picture
 
Synonyms:
 hexadecan-2-one
 ketone, methyl tetradecyl
 methyl tetradecyl ketone
 
 
Notes:
Isol. from hop oil (Humulus lupulus)
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