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

isoamyl mandelate
atractyl

Supplier Sponsors

CAS Number: 5421-04-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:226-535-1
FDA UNII: MCC49E3509
Nikkaji Web:J31.462E
MDL:MFCD00021858
XlogP3:2.90 (est)
Molecular Weight:222.28406000
Formula:C13 H18 O3
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
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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
Boiling Point: 323.50 °C. @ 760.00 mm Hg (est)
Flash Point: 266.00 °F. TCC ( 130.00 °C. ) (est)
logP (o/w): 2.840 (est)
Soluble in:
 water, 701 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoAmyl Mandelate
sds
TCI AMERICA
For experimental / research use only.
isoAmyl DL-Mandelate >93.0%(GC)
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:
oral-mouse LD50 14500 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 2, Pg. 165, 1952.

Dermal Toxicity:
subcutaneous-mouse LD50 23100 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 2, Pg. 165, 1952.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for isoamyl mandelate usage levels up to:
 not for fragrance use.
 
Recommendation for isoamyl mandelate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :95396
National Institute of Allergy and Infectious Diseases:Data
3-methylbutyl 2-hydroxy-2-phenylacetate
Chemidplus:0005421045
RTECS:CY1633900 for cas# 5421-04-5
 
References:
 3-methylbutyl 2-hydroxy-2-phenylacetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):95396
Pubchem (sid):135052699
 
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:2918.19.1500
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:
 atractyl
 benzeneacetic acid, alpha-hydroxy-3-methylbutyl ester
alpha-hydroxy-3-methylbutyl benzeneacetate
 mandaverm
 mandelic acid isoamyl ester
 mandelic acid isopentyl ester
 mandelic acid, isopentyl ester
3-methylbutyl 2-hydroxy-2-phenylacetate
isopentyl phenyl glycolate
isopentyl phenylglycolate
 spasmol
 spasmostenyl
 vermiparin
 
 
Notes:
None found
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