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alpha-aleuritic acid
hexadecanoic acid, 9,10,16-trihydroxy-, (9R,10S)-rel-

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Name:(9R,10S)-9,10,16-trihydroxyhexadecanoic acid
CAS Number: 533-87-9Picture of molecule3D/inchi
Other(deleted CASRN):18951-77-4
ECHA EINECS - REACH Pre-Reg:208-578-8
FDA UNII: 442LQ2K03A
Nikkaji Web:J415.372C
Beilstein Number:1727724
MDL:MFCD00135596
XlogP3-AA:2.50 (est)
Molecular Weight:304.42704000
Formula:C16 H32 O5
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
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:
Appearance:white crystalline powder (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 100.00 to 101.00 °C. @ 760.00 mm Hg
Boiling Point: 516.00 to 517.00 °C. @ 760.00 mm Hg (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 2.830
Soluble in:
 alcohol
 acetic acid
 acetone
 water, 110.6 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Carbosynth
For experimental / research use only.
Aleuritic Acid
Chemshel Enterprieses
Aleuritic Acid
Foreverest Resources
Aleuritic Acid
Odor: characteristic
Use: Aleuritic acid, or a-aleuritic acid, is a major ingredient in shellac, constituting about 35% of it. It is used as a starting material in the perfume industry for the preparation of musk aroma.
Santa Cruz Biotechnology
For experimental / research use only.
alpha-Aleuritic Acid
Sigma-Aldrich: Aldrich
For experimental / research use only.
Aleuritic Acid
sds
TCI AMERICA
For experimental / research use only.
Aleuritic Acid >98.0%(T)
sds
 
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:
intravenous-mouse LD50 178 mg/kg
NIOSH Exchange Chemicals. Vol. NX#00691

intravenous-mouse LD50 178 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00691

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for alpha-aleuritic acid usage levels up to:
 not for fragrance use.
 
Recommendation for alpha-aleuritic 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):533-87-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :222178
National Institute of Allergy and Infectious Diseases:Data
(9R,10S)-9,10,16-trihydroxyhexadecanoic acid
Chemidplus:0000533879
RTECS:ML9850000 for cas# 533-87-9
 
References:
 (9R,10S)-9,10,16-trihydroxyhexadecanoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:533-87-9
Pubchem (cid):222178
Pubchem (sid):134977210
 
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:2918.19.9000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
(±)-aleuritic acid
a-aleuritic acid
DL-erythro-aleuritic acid
 aleuritic acid (alpha)
DL-erythro-9,10,16-trihydroxyhexadecanoic acid
dextro,laevo-erythro-9,10,16-trihydroxyhexadecanoic acid
DL-erythro-aleuritic acid
dextro,laevo-erythro-aleuritic acid
 hexadecanoic acid, 9,10,16-trihydroxy-, (9R,10S)-rel-
9,10,16-trihydroxy palmitic acid
9,10,16-trihydroxy-hexadecanoic acid
(9R,10S)-rel-9,10,16-trihydroxyhexadecanoic acid
(theta,S)-(±)-9,10,16-trihydroxyhexadecanoic acid
alpha-9,10,16-trihydroxyhexadecanoic acid
(9R,10S)-9,10,16-trihydroxyhexadecanoic acid
9,10,16-trihydroxypalmitic acid
DL-erythro-9,10,16-trihydroxypalmitic acid
8,9,15-trihydroxypentadecane-1-carboxylic acid
 

Articles:

PubMed:Aleuritic (9,10,16-trihydroxypalmitic) acid self-assembly on mica.
PubMed:Flip-flop of hydroxy fatty acids across the membrane as monitored by proton-sensitive microelectrodes.
PubMed:An effective use of benzoic anhydride and its derivatives for the synthesis of carboxylic esters and lactones: a powerful and convenient mixed anhydride method promoted by basic catalysts.
PubMed:New reagents for the introduction of reactive functional groups into chemically synthesized DNA probes.
PubMed:Characterization of natural resin shellac by reactive pyrolysis-gas chromatography in the presence of organic alkali.
PubMed:Structure of (+-)-threo-9,10,16-trihydroxypalmitic acid.
PubMed:Simple and economic syntheses of some (Z)-7- and (Z)-9-alkenyl acetates, and of (E,Z)-7,9-dodecadien-1-yl acetate, the sex pheromone of the European grapevine moth, using aleuritic acid as a common starting material.
 
Notes:
None found
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