12-Mercaptododecanoic acid - CAS 82001-53-4

Catalog:	BB036741
Product Name:	12-Mercaptododecanoic acid
CAS:	82001-53-4
Synonyms:	12-sulfanyldodecanoic acid

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Computed Properties

IUPAC Name:	12-sulfanyldodecanoic acid
Description:	12-Mercaptododecanoic acid (CAS# 82001-53-4 ) is a useful research chemical.
Molecular Weight:	232.38
Molecular Formula:	C12H24O2S
Canonical SMILES:	C(CCCCCC(=O)O)CCCCCS
InChI:	InChI=1S/C12H24O2S/c13-12(14)10-8-6-4-2-1-3-5-7-9-11-15/h15H,1-11H2,(H,13,14)
InChI Key:	SDAWVOFJSUUKMR-UHFFFAOYSA-N
Boiling Point:	366.5 °C at 760 mmHg
Flash Point:	> 110 °C(230.0 °F)
Purity:	96 %
Density:	0.987 g/cm³
Appearance:	White to tan solid, powder, crystals, crystalline powder and/or chunks
Storage:	Keep cold.
MDL:	MFCD08705252
LogP:	3.90180

Publication Number	Title	Priority Date
CN-112831053-A	Reactive organosilicon release agent and preparation method thereof	20210224
CN-112831274-A	Hydrosulphonyl-terminated polysiloxane water-based release agent	20210224
CN-112831364-A	Resin-based composite material water-based release agent and preparation method thereof	20210224
CN-112979958-A	Mercapto-terminated organic silicon polymer and preparation method thereof	20210224
CN-112834740-A	Peptide-like oligomer, preparation method thereof, pharmaceutical composition and microfluidic chip	20201231

PMID	Publication Date	Title	Journal
21907697	20111215	Protected immobilization of Taq DNA polymerase by active site masking on self-assembled monolayers of ω-functionalized thiols	Analytical biochemistry
21780426	20110501	Electrochemical detection of biomolecule with mixed self-assembled monolayers of ferrocene-undecanethiol	Journal of nanoscience and nanotechnology
18936839	20081101	An electrochemical immunosensor using p-aminophenol redox cycling by NADH on a self-assembled monolayer and ferrocene-modified Au electrodes	The Analyst

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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:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.14970118
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	232.14970118
Rotatable Bond Count:	11
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6