(E)-Oct-2-enyl acetate - CAS 3913-80-2

Catalog:	BB054028
Product Name:	(E)-Oct-2-enyl acetate
CAS:	3913-80-2
Synonyms:	trans-2-Octen-1-yl acetate; 2E-Octenyl acetate; (E)-2-Octen-1-ol, acetate; (E)-2-octenyl acetate; (E)-2-Octen-1-yl acetate; 2-Octen-1-ol, acetate, (E)-; 2-Octenyl acetate, trans-

Technical Data

Computed Properties

Related CAS:	2371-13-3 (rac-isomer)
IUPAC Name:	[(E)-oct-2-enyl] acetate
Molecular Weight:	170.25
Molecular Formula:	C10H18O2
Canonical SMILES:	CCCCCC=CCOC(=O)C
InChI:	InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7+
InChI Key:	MBRLTLPMVMFRTJ-BQYQJAHWSA-N
Boiling Point:	216.8°C at 760 mmHg
Purity:	≥95%
Density:	0.892±0.06 g/cm3 (Predicted)
Solubility:	Soluble in fats; Insoluble in water
Appearance:	Colorless Clear Liquid

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Related Functional Groups

Alkenes

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[632-51-9]
1,1,2,2-Tetraphenylethylene
[497-06-3]
3,4-Dihydroxy-1-butene
[4984-01-4]
3,7-Dimethyl-1-octene
[78-70-6]
Linalool
[116-04-1]
β-Humulene

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	170.130679813
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.130679813
Rotatable Bond Count:	7
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3