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

(Z)-ligustilide
1(3H)-isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)-

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CAS Number: 81944-09-4Picture of molecule3D/inchi
Nikkaji Web:J441.992H
XlogP3-AA:2.70 (est)
Molecular Weight:190.24198000
Formula:C12 H14 O2
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
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 377.00 to 378.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000006 mmHg @ 25.00 °C. (est)
Flash Point: 317.00 °F. TCC ( 158.60 °C. ) (est)
logP (o/w): 1.710 (est)
Soluble in:
 alcohol
 water, 125.7 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.
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)- 95%
 
Safety Information:
 
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 (Z)-ligustilide usage levels up to:
 not for fragrance use.
 
Recommendation for (Z)-ligustilide 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 :5319022
National Institute of Allergy and Infectious Diseases:Data
(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
Chemidplus:0004431010
 
References:
 (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5319022
Pubchem (sid):135116210
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C16987
HMDB (The Human Metabolome Database):Search
FooDB:FDB003844
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
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Synonyms:
1(3H)-isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)-
(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1(3H)-one
(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
(Z)-3-butylidene-4,5-dihydrophthalide
 

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Notes:
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