2-propyl acrolein, 1070-13-9

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CODE145705 CODE145705
Product(s):
1070-13-9 2-Methylenevaleraldehyde

CAS Number:	1070-13-9	3D/inchi
ECHA EINECS - REACH Pre-Reg:	213-971-2
FDA UNII:	Search
Nikkaji Web:	J217.182A
XlogP3-AA:	1.70 (est)
Molecular Weight:	218.25490000
Formula:	C16 H10 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:information only not used for fragrances or flavors

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:	133.30 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	8.500000 mmHg @ 25.00 °C. (est)
Flash Point:	84.00 °F. TCC ( 29.10 °C. ) (est)
logP (o/w):	1.610 (est)
Soluble in:
	water, 4036 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.

2-Methylenevaleraldehyde

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:
information only not used for fragrances or flavors
Recommendation for 2-propyl acrolein usage levels up to:
	not for fragrance use.

Recommendation for 2-propyl acrolein flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

Chemical Carcinogenesis Research Information System:Search

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :70609

National Institute of Allergy and Infectious Diseases:Data

2-methylidenepentanal

Chemidplus:0001070139

References:

	2-methylidenepentanal
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	70609
Pubchem (sid):	135027656
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):	Search
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

not found in nature

Synonyms:

2-	methylene pentanal
2-	methylene valeraldehyde
2-	methylenepentanal
2-	methylenevaleraldehyde
	pentanal, 2-methylene-
	pentanal, 2-methylene- (9CI)
2-	propylacrolein
alpha-	propylacrolein
	valeraldehyde, 2-methylene-

Articles:

US Patents:8,080,691 - Organoleptic compounds

PubMed:The influence of the solvents DMSO and ethanol on the genotoxicity of alpha,beta-unsaturated aldehydes in the SOS chromotest.

PubMed:Mutagenicity of 2-alkylpropenals in Salmonella typhimurium strain TA 100: structural influences.

PubMed:Mutagenicity of 2-methylacrolein, 2-ethylacrolein and 2-propylacrolein in Salmonella typhimurium TA100. A comparative study.

PubMed:Delineation of the intimate details of the backbone conformation of pyridine nucleotide coenzymes in aqueous solution.

Notes:

None found

2-propyl acrolein valeraldehyde, 2-methylene-

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Articles:

2-propyl acrolein
valeraldehyde, 2-methylene-