(E)-isoelemicin, 5273-85-8

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CODE155159 CODE155159
Product(s):
5273-85-8 Isoelemicin >98%
Isoelemicin is a natural phenylpropanoid found in the herbs of Erythrina stricta.

Name:	1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene
CAS Number:	5273-85-8	3D/inchi
FDA UNII:	Search
Nikkaji Web:	J8.828E
XlogP3:	2.50 (est)
Molecular Weight:	208.25712000
Formula:	C12 H16 O3
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:	306.00 to 307.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.001000 mmHg @ 25.00 °C. (est)
Flash Point:	216.00 °F. TCC ( 102.20 °C. ) (est)
logP (o/w):	2.792 (est)
Soluble in:
	alcohol
	water, 155.4 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: spicy

spicy floral

Odor Description:at 100.00 %. spicy flower

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

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

Isoelemicin >98%

Odor: characteristic

Use: Isoelemicin is a natural phenylpropanoid found in the herbs of Erythrina stricta.

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 (E)-isoelemicin usage levels up to:
	not for fragrance use.

Recommendation for (E)-isoelemicin 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 :5318557

National Institute of Allergy and Infectious Diseases:Data

1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene

Chemidplus:0000487127

References:

	1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	5318557
Pubchem (sid):	135054013
Flavornet:	5273-85-8

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):	C16975
HMDB (The Human Metabolome Database):	Search
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

	centaurea rhizantha Search Trop Picture
	cubeb oil @ 0.39% Data GC Search Trop Picture
	laurel leaf oil turkey @ 0.30% Data GC Search Trop Picture
	mace oil @ 0.50% Data GC Search Trop Picture
	piper wallichii Search Trop Picture
	salix triandra Search Trop Picture
	snake root oil canada @ 0.90% Data GC Search Trop Picture

Synonyms:

trans-iso	elemicin
1,2,3-	trimethoxy-5-(1E)-1-propenyl benzene
1,2,3-	trimethoxy-5-(1E)-1-propenylbenzene
1,2,3-	trimethoxy-5-[(E)-prop-1-enyl]benzene

Articles:

PubMed:GC/GC-MS analysis, isolation and identification of bioactive essential oil components from the Bhutanese medicinal plant, Pleurospermum amabile.

PubMed:Chemical composition and antimicrobial activity of Phyllanthus muellerianus (Kuntze) Excel essential oil.

PubMed:Secondary metabolites from the phloem of Piper solmsianum (Piperaceae) in the honeydew of Edessa meditabunda.

PubMed:Isolation of bioactive compounds that relate to the anti-platelet activity of Cymbopogon ambiguus.

PubMed:Isolation of antifungal and larvicidal constituents of Diplolophium buchanani by centrifugal partition chromatography.

Notes:

None found

(E)-isoelemicin 1,2,3-trimethoxy-5-(1E)-1-propenylbenzene

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Articles:

(E)-isoelemicin
1,2,3-trimethoxy-5-(1E)-1-propenylbenzene