(E)-3-(3-Pentyloxiran-2-yl)prop-2-enal - CAS 188590-62-7

Catalog:	BB053637
Product Name:	(E)-3-(3-Pentyloxiran-2-yl)prop-2-enal
CAS:	188590-62-7
Synonyms:	Trans-4,5-Epoxy-2(E)-Decenal

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(3-pentyloxiran-2-yl)prop-2-enal
Molecular Weight:	168.23
Molecular Formula:	C10H16O2
Canonical SMILES:	CCCCCC1C(O1)C=CC=O
InChI:	InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3
InChI Key:	HIOMEXREAUSUBP-UHFFFAOYSA-N
Boiling Point:	273.3±15.0 °C at 760 mmHg
Density:	1.0±0.1 g/cm3
Solubility:	Soluble in water
Appearance:	Clear liquid

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H315 (98.21%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (98.21%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.115029749
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.115029749
Rotatable Bond Count:	6
Topological Polar Surface Area:	29.6
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	1
XLogP3:	2