(E)-4-Methylhex-3-enoic Acid - CAS 55665-79-7

Catalog:	BB059223
Product Name:	(E)-4-Methylhex-3-enoic Acid
CAS:	55665-79-7
Synonyms:	4-Methyl-3-hexenoic Acid; 4-Ethyl-3-pentenoic Acid

Technical Data

Safety and Hazards

Patents

Computed Properties

QC Data

IUPAC Name:	(E)-4-methylhex-3-enoic acid
Description:	4-Methylhex-3-Enoic Acid could be useful for inhibiting odor formation.
Molecular Weight:	128.17
Molecular Formula:	C7H12O2
Canonical SMILES:	CCC(=CCC(=O)O)C
InChI:	InChI=1S/C7H12O2/c1-3-6(2)4-5-7(8)9/h4H,3,5H2,1-2H3,(H,8,9)/b6-4+
InChI Key:	VKWJULLMBKNPEC-GQCTYLIASA-N
References:	Imai, M. PCT Int. Appl. (2020), WO 2020013310 A1.

Publication Number	Title	Priority Date
WO-2021106822-A1	Method for controlling branched fatty acid metabolism	20191125
WO-2020116608-A1	Deodorant	20181207
EP-3332642-A1	Antibacterial perfuming composition	20161208
EP-3305898-A1	Method for selecting odor-controlling substance	20150529
US-2018127482-A1	Method for Selecting Odor-Controlling Substance	20150529
EP-3305898-B1	Method for selecting odor-controlling substance	20150529
US-10738101-B2	Method for selecting odor-controlling substance	20150529
EP-3272917-A1	Antimicrobial fiber	20150318
US-2018080149-A1	Antimicrobial fibers	20150318
EP-2776589-A1	Method of evaluating inhibitory effect on damp-dry malodor	20120529

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	128.083729621
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8