(E)-3-penten-2-one, 3102-33-8

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CODE112385 CODE112385
Product(s):
3102-33-8 trans-3-Penten-2-one

Name:	(E)-pent-3-en-2-one
CAS Number:	3102-33-8	3D/inchi
FDA UNII:	4WN5NGB7KX
Nikkaji Web:	J126.151G
Beilstein Number:	1633505
XlogP3:	0.50 (est)
Molecular Weight:	84.11796000
Formula:	C5 H8 O
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:

Appearance:	colorless to yellow clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	122.00 °C. @ 760.00 mm Hg
Vapor Pressure:	14.217000 mmHg @ 25.00 °C. (est)
Flash Point:	68.00 °F. TCC ( 19.80 °C. ) (est)
logP (o/w):	0.563 (est)
Soluble in:
	alcohol
	water, 4.618e+004 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.

trans-3-Penten-2-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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for (E)-3-penten-2-one usage levels up to:
	not for fragrance use.

Recommendation for (E)-3-penten-2-one 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 :637920

National Institute of Allergy and Infectious Diseases:Data

(E)-pent-3-en-2-one

Chemidplus:0003102338

References:

	(E)-pent-3-en-2-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	637920
Pubchem (sid):	134977882
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
HMDB (The Human Metabolome Database):	HMDB01184
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

	artocarpus polyphema pers. fruit Search Trop Picture
	jackfruit fruit Search Trop Picture
	paederia foetida Search Trop Picture
	thalassia testudinum banks Search Trop Picture

Synonyms:

(E)-	ethylidene acetone
(E)-	methyl 1-propenyl ketone
(E)-	methyl propenyl ketone
(3E)-	pent-3-en-2-one
(E)-	pent-3-en-2-one
(3E)-3-	penten-2-one
3-	penten-2-one, (3E)-
3-	penten-2-one, (E)-
(E)-2-oxo-3-	pentene

Articles:

PubMed:Density functional theory investigations on sulfur ylide promoted cyclopropanation reactions: insights on mechanism and diastereoselection issues.

PubMed:An experimental study of the gas-phase reaction of the NO3 radical with alpha,beta-unsaturated carbonyl compounds.

Notes:

None found

(E)-3-penten-2-one (E)-ethylidene acetone

Supplier Sponsors

Articles:

(E)-3-penten-2-one
(E)-ethylidene acetone