10,12-Pentacosadiynoic acid - CAS 66990-32-7

Name: 10,12-Pentacosadiynoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	pentacosa-10,12-diynoic acid
Description:	10,12-Pentacosadiynoic acid (CAS# 66990-32-7) is used in the preparation of colorimetric and fluorescence sensors for cationic surfactants.
Molecular Weight:	374.60
Molecular Formula:	C25H42O2
Canonical SMILES:	CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O
InChI:	InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-12,17-24H2,1H3,(H,26,27)
InChI Key:	ZPUDRBWHCWYMQS-UHFFFAOYSA-N
Boiling Point:	522.5 °C at 760 mmHg
Melting Point:	62-63 °C
Purity:	> 97.0 % (T)
Density:	0.93 g/cm³
Appearance:	Light blue crystalline
Storage:	Refrigerator
MDL:	MFCD00041684
LogP:	7.50960

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

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PMID	Publication Date	Title	Journal
23058980	20130101	Controlling the reversible thermochromism of polydiacetylene/zinc oxide nanocomposites by varying alkyl chain length	Journal of colloid and interface science
22928587	20121010	Self-assembly and photopolymerization of sub-2 nm one-dimensional organic nanostructures on graphene	Journal of the American Chemical Society
22918197	20121009	Reversible thermal transition of polydiacetylene based on KTTKS collagen sequence	Chemical communications (Cambridge, England)
22909263	20120905	Shedding light on helical microtubules: real-time observations of microtubule self-assembly by light microscopy	Journal of the American Chemical Society
22424766	20120601	One-step synthesis and assembly of one-dimensional parallel chains of CdS nanoparticles at the air-water interface templated by 10,12-pentacosadiynoic acid supermolecules	Journal of colloid and interface science

Complexity:	466
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	374.318480578
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	374.318480578
Rotatable Bond Count:	19
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	9.4