1H,1H,2H,2H-Perfluoro-1-octanol - CAS 647-42-7

Name: 1H,1H,2H,2H-Perfluoro-1-octanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
Description:	1H,1H,2H,2H-Perfluoro-1-octanol (CAS# 647-42-7) is a material used to improve nanotube composites. It is also used in the synthesis of a recyclable fluorous hydrazine carbothioate compound with NCS to catalyze the acetalization of aldehydes.
Molecular Weight:	364.10
Molecular Formula:	C8H5F13O
Canonical SMILES:	C(CO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:	InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
InChI Key:	GRJRKPMIRMSBNK-UHFFFAOYSA-N
Boiling Point:	88-95 °C (28 mmHg)
Purity:	95 %
Density:	1.651 g/cm³
Appearance:	Clear colourless liquid
Storage:	Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00042143
LogP:	4.10760

GHS Hazard Statement:	H302 (59.41%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
21530637	20120701	Effects of per- and polyfluorinated compounds on adult rat testicular cells following in vitro exposure	Reproductive toxicology (Elmsford, N.Y.)
20513970	20100101	Supported liquid membrane transport of alkali metal cations by monoazacryptand with a partially fluorinated sidearm and the corresponding monoazacrown ethers	Journal of oleo science
19443055	20090628	Waterborne exposure to fluorotelomer alcohol 6:2 FTOH alters plasma sex hormone and gene transcription in the hypothalamic-pituitary-gonadal (HPG) axis of zebrafish	Aquatic toxicology (Amsterdam, Netherlands)
18334264	20080501	Fluorotelomer alcohols induce hepatic vitellogenin through activation of the estrogen receptor in male medaka (Oryzias latipes)	Chemosphere
18264960	20080101	From microdroplets to microfluidics: selective emulsion separation in microfluidic devices	Angewandte Chemie (International ed. in English)

Complexity:	395
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	364.0132809
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	14
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	364.0132809
Rotatable Bond Count:	6
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4