benzalphthalide, 575-61-1

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CODE122170 CODE122170
Product(s):
575-61-1 Benzalphthalide

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Product(s):
GK6397 Benzalphthalide

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CODE122170 CODE122170
Product(s):
B1214 3-Benzalphthalide >99.0%(GC)
SDS

CAS Number:	575-61-1	3D/inchi
ECHA EINECS - REACH Pre-Reg:	209-388-8
FDA UNII:	C9E8S3AGYQ
Beilstein Number:	0083797
MDL:	MFCD00005929
XlogP3-AA:	3.50 (est)
Molecular Weight:	222.24310000
Formula:	C15 H10 O2
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:cosmetic UV absorber

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:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	374.10 °C. @ 760.00 mm Hg (est)
Flash Point:	314.00 °F. TCC ( 156.90 °C. ) (est)
logP (o/w):	4.270 (est)
Soluble in:
	water, 148.8 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

CosIng:	cosmetic data
Cosmetic Uses:	uv absorbers

Suppliers:

BOC Sciences

For experimental / research use only.

Benzalphthalide

Glentham Life Sciences

Benzalphthalide

Santa Cruz Biotechnology

For experimental / research use only.

Benzalphthalide

Sigma-Aldrich: Aldrich

For experimental / research use only.

Benzalphthalide

sds

TCI AMERICA

For experimental / research use only.

3-Benzalphthalide >99.0%(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:
intraperitoneal-mouse LD > 500 mg/kg "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 143, 1953.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
cosmetic UV absorber
Recommendation for benzalphthalide usage levels up to:
	not for fragrance use.

Recommendation for benzalphthalide 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 :700611

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

(3E)-3-benzylidene-2-benzofuran-1-one

Chemidplus:0000575611

RTECS:TI3686000 for cas# 575-61-1

References:

	(3E)-3-benzylidene-2-benzofuran-1-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	700611
Pubchem (sid):	135023472

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
CHEMBL:	View
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2932.99.7000
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:

u.v. absorbers

Occurrence (nature, food, other):note

not found in nature

Synonyms:

	benzal phthalide
1(3H)-I\iso	benzofuranane, 3-(phenylmethylene)-
1(3H)-iso	benzofuranone, 3-(phenylmethylene)-, (3E)-
3-	benzylidene phthalide
(3E)-3-	benzylidene-2-benzofuran-1-one
(3E)-3-	benzylidene-2-benzofuran-1(3H)-one
(E)-3-	benzylideneisobenzofuran-1(3H)-one
3-	benzylidenphthalide
3-[1-	phenyl-meth-(E)-ylidene]-3H-isobenzofuran-1-one

Articles:

PubMed:Bacterial degradation of benzalphthalide.

PubMed:Metabolism of benzalphthalide by Pseudomonas sp.

PubMed:Identification and quantitation of a 3-benzylidenephthalide contaminant of phenindione tablets and its characterization as a potentially immunogenic substance.

PubMed:One-step synthesis of isocoumarins and 3-benzylidenephthalides via ligandless Pd-catalyzed oxidative coupling of benzoic acids and vinylarenes.

PubMed:Synthesis of 3-substituted isocoumarins and their inhibitory effects on degranulation of RBL-2H3 cells induced by antigen.

PubMed:Anti-HIV activity of stilbene-related heterocyclic compounds.

Notes:

contaminant of phenindione tablets considered as potentially immunogenic substance.

benzalphthalide (E)-3-benzylideneisobenzofuran-1(3H)-one

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Articles:

benzalphthalide
(E)-3-benzylideneisobenzofuran-1(3H)-one