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

(Z)-3-butylidene phthalide
1(3H)-isobenzofuranone, 3-butylidene-, (3Z)-

Supplier Sponsors

Name:(3Z)-3-butylidene-2-benzofuran-1-one
CAS Number: 72917-31-8Picture of molecule3D/inchi
FDA UNII:6GM611H175
Nikkaji Web:J682.071I
XlogP3-AA:3.20 (est)
Molecular Weight:188.22604000
Formula:C12 H12 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
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
Perfumer and Flavorist: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: 108.00 to 109.00 °C. @ 0.10 mm Hg
Boiling Point: 312.00 to 313.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 262.00 °F. TCC ( 127.90 °C. ) (est)
logP (o/w): 3.723 (est)
Soluble in:
 alcohol
 water, 353.5 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.
(Z)-Butylidenephthalide > 95%
Odor: characteristic
Use: (Z)-Butylidenephthalide isolated from the roots of Angelica sinensis. antitumor effect
 
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: flavor and fragrance agents
 
 
Safety References:
European Food Safety Authority (EFSA) reference(s):

Scientific Opinion on the safety and efficacy of alicyclic and aromatic lactones (chemical group 11) when used as flavourings for all animal species
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :642376
National Institute of Allergy and Infectious Diseases:Data
(3Z)-3-butylidene-2-benzofuran-1-one
Chemidplus:0072917318
 
References:
 (3Z)-3-butylidene-2-benzofuran-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):642376
Pubchem (sid):135112157
 
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):C16924
HMDB (The Human Metabolome Database):HMDB32061
FooDB:FDB008770
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider: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
 celery
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 coffee green coffee
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 levisticum officinale flower oil @ 0.51%
Data GC Search Trop Picture
 levisticum officinale root oil @ 2.24%
Data GC Search Trop Picture
 levisticum officinale seed oil @ 0.69%
Data GC Search Trop Picture
 ligusticum porteri
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 lovage root
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 lovage szechuan lovage
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 parsley leaf oil @ trace%
Data GC Search Trop Picture
 trachyspermum roxburghianum benth. ex. kurz. seed oil india @ 0.60%
Data GC Search Trop Picture
 
Synonyms:
1(3H)-isobenzofuranone, 3-butylidene-, (3Z)-
(3Z)-3-butylidene-2-benzofuran-1-one
(3Z)-3-butylidene-2-benzofuran-1(3H)-one
(Z)-3-butylideneisobenzofuran-1(3H)-one
(Z)-3-butylidenephthalide
cis-3-butylidenephthalide
 
 
Notes:
Constit. of Angelica glauca
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