capillin, 495-74-9

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CODE161994 CODE161994
Product(s):
495-74-9 1-phenylhexa-2,4-diyn-1-one

Name:	1-phenylhexa-2,4-diyn-1-one
CAS Number:	495-74-9	3D/inchi
FDA UNII:	9JXZ3SJG0I
Nikkaji Web:	J59.802J
Beilstein Number:	1865168
XlogP3-AA:	3.00 (est)
Molecular Weight:	168.19496000
Formula:	C12 H8 O
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge 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
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	279.00 to 280.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.004000 mmHg @ 25.00 °C. (est)
Flash Point:	238.00 °F. TCC ( 114.30 °C. ) (est)
logP (o/w):	3.594 (est)
Soluble in:
	water, 286.4 mg/L @ 25 °C (est)

Organoleptic Properties:

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

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

1-phenylhexa-2,4-diyn-1-one

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:
intravenous-mouse LD50 1 mg/kg "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 297, 1982. intraperitoneal-mouse LD50 6.98 mg/kg "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 297, 1982.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for capillin usage levels up to:
	not for fragrance use.

Recommendation for capillin 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 :10321

National Institute of Allergy and Infectious Diseases:Data

1-phenylhexa-2,4-diyn-1-one

Chemidplus:0000495749

References:

	1-phenylhexa-2,4-diyn-1-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	10321
Pubchem (sid):	134977190
Pherobase:	View

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
KEGG (GenomeNet):	C08398
HMDB (The Human Metabolome Database):	HMDB32867
FooDB:	FDB010846
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

	artemisia capillaris Search Trop Picture
	artemisia glauca Search Trop Picture
	artemisia nilagirica leaf Search Trop Picture
	artemisia ordosica Search Trop Picture
	artemisia scoparia leaf Search Trop Picture
	tarragon Search Trop Picture

Synonyms:

2,4-	hexadiyn-1-one, 1-phenyl-
2,4-	hexadiynophenone
1-	phenyl hexa-2,4-diyn-1-one
1-	phenyl-2,4-hexadiyn-1-one
1-	phenylhexa-2,4-diyn-1-one

Articles:

PubMed:[Antimicrobial activity and constituents in rumput roman extract as a natural food preservative].

PubMed:Cytotoxicity of some Russian ethnomedicinal plants and plant compounds.

PubMed:Effects of the polyacetylene capillin on human tumour cell lines.

PubMed:The herbal medicine Inchin-ko-to inhibits liver cell apoptosis induced by transforming growth factor beta 1.

PubMed:Toxicity of capillin, the insecticidal principle of Artemisia nilagirica Clarke.

PubMed:[Antibiotic properties of furan derivatives of capillin and its similar compounds].

PubMed:THE PREPARATION OF CAPILLIN AND SOME RELATED COMPOUNDS, AND OF SOME SUBSTITUTED PENT-4-EN-2-YN-1-ONES.

PubMed:[A NEW SYNTHESIS TECHNIC FOR CAPILLIN, CAPILLINOL AND SIMILAR DIYNES].

PubMed:Stereospecific reduction of capillin, an antifungal substance, by mold mycelia.

Notes:

insecticidal principle of artemisia nilagirica clarke. Constit. of essential oil from Artemisia dracunculus (tarragon)

capillin 2,4-hexadiynophenone

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Articles:

capillin
2,4-hexadiynophenone