Ethyl 6-heptenoate - CAS 25118-23-4

Catalog:	BB018750
Product Name:	Ethyl 6-heptenoate
CAS:	25118-23-4
Synonyms:	ethyl hept-6-enoate

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Computed Properties

IUPAC Name:	ethyl hept-6-enoate
Description:	Ethyl 6-heptenoate (CAS# 25118-23-4) is a useful research chemical compound.
Molecular Weight:	156.22
Molecular Formula:	C9H16O2
Canonical SMILES:	CCOC(=O)CCCCC=C
InChI:	InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h3H,1,4-8H2,2H3
InChI Key:	FTJATNSAFIFEDU-UHFFFAOYSA-N
Boiling Point:	189 ℃ (lit.)
Density:	0.89 g/mL at 25℃(lit.)
MDL:	MFCD00671845
LogP:	2.29590

Publication Number	Title	Priority Date
CN-107721928-B	Iron-based cyano-containing anionic imidazole ionic liquid and preparation method and application thereof	20171102
CN-107511176-B	Method for catalyzing hydrosilylation reaction of unsaturated alkyl ester by iron-based pyrrolidone ionic liquid	20170815
CN-107597184-B	Preparation method and application of iron-based pyrrolidone ionic liquid catalyst	20170815
JP-2018123123-A	Sulfur-based compound, lubricating oil additive containing the sulfur-based compound, and lubricating oil composition containing the sulfur-based compound	20170127
JP-2020505594-A	Generation and use of discovery ion current in mass spectrometry	20170117

PMID	Publication Date	Title	Journal
18038383	20080101	Synthesis of novel migrastatin and dorrigocin A analogues from D-glucal	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.115029749
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.115029749
Rotatable Bond Count:	7
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4