Butyl phenyl ether - CAS 1126-79-0

Catalog:	BB003021
Product Name:	Butyl phenyl ether
CAS:	1126-79-0
Synonyms:	butoxybenzene

Technical Data

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Computed Properties

IUPAC Name:	butoxybenzene
Description:	Butyl phenyl ether (CAS# 1126-79-0) is a useful research chemical.
Molecular Weight:	150.22
Molecular Formula:	C10H14O
Canonical SMILES:	CCCCOC1=CC=CC=C1
InChI:	InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChI Key:	YFNONBGXNFCTMM-UHFFFAOYSA-N
Boiling Point:	210.2 °C
Density:	0.935 g/cm³
Appearance:	Colorless liquid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00009438
LogP:	2.86550

Publication Number	Title	Priority Date
JP-2020167439-A	Organic semiconductor film and its manufacturing method	20200629
US-10988479-B1	Morphic forms of trilaciclib and methods of manufacture thereof	20200615
JP-2021155337-A	Manufacturing method of carbosilane	20200325
JP-2021118173-A	A composition for a light emitting element and a method for manufacturing a light emitting element using the same.	20200123
CN-113121387-A	Organic compound, mixture containing the same, composition and organic electronic device	20191230

PMID	Publication Date	Title	Journal
22904976	20120801	2,2-Bis(4-but-oxy-phen-yl)-1,1,1-trichloro-ethane	Acta crystallographica. Section E, Structure reports online
22199848	20111201	[8-(4-But-oxy-benzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl](4-but-oxy-phen-yl)methanone	Acta crystallographica. Section E, Structure reports online
21522389	20110216	2,4-Bis(4-but-oxy-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one	Acta crystallographica. Section E, Structure reports online
21583951	20090430	2-[1-(1-Naphth-yl)-1H-1,2,3-triazol-4-yl]pyridine	Acta crystallographica. Section E, Structure reports online
18839989	20081107	A comparative study on the binding behaviors of beta-cyclodextrin and its two derivatives to four fanlike organic guests	The Journal of organic chemistry

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Related Functional Groups

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[861434-97-1]
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline
[24550-39-8]
3-[(4-Chlorobenzyl)oxy]benzaldehyde
[861225-50-5]
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

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GHS Hazard Statement:	H315 (20%): 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:	84.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.104465066
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.104465066
Rotatable Bond Count:	4
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5