(Z)-3-butylidene phthalide, 72917-31-8

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CODE112558 CODE112558
Product(s):
72917-31-8 (Z)-Butylidenephthalide > 95%
(Z)-Butylidenephthalide isolated from the roots of Angelica sinensis. antitumor effect

Name:	(3Z)-3-butylidene-2-benzofuran-1-one
CAS Number:	72917-31-8	3D/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, Edge 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
PubMed:	Search
NCBI:	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:

Alfa Biotechnology

For experimental / research use only.

(Z)-Butylidenephthalide 98%

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

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 2011 (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 Search Trop Picture
	coffee green coffee Search PMC Picture
	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 Search Trop Picture
	lovage root Search Trop Picture
	lovage szechuan lovage Search Trop Picture
	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)-iso	benzofuranone, 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

Articles:

PubMed:Antinociceptive activity of Ligusticum porteri preparations and compounds.

PubMed:Antimycobacterials from lovage root (Ligusticum officinale Koch).

PubMed:(Z)-3-butylidenephthalide from Ligusticum porteri , an α-glucosidase inhibitor.

PubMed:Stereoselectivity of butylidenephthalide on voltage-dependent calcium channels in guinea-pig isolated ileum.

Notes:

Constit. of Angelica glauca

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

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Articles:

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