Lignoceric acid - CAS 557-59-5

Catalog:	BB053675
Product Name:	Lignoceric acid
CAS:	557-59-5
Synonyms:	N-tetracosanoic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	tetracosanoic acid
Description:	Lignoceric acid is a saturated fatty acid.
Molecular Weight:	368.64
Molecular Formula:	C24H48O2
Canonical SMILES:	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI:	InChI=1S/C24H48O2/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/h2-23H2,1H3,(H,25,26)
InChI Key:	QZZGJDVWLFXDLK-UHFFFAOYSA-N
Boiling Point:	405.9±8.0 °C at 760 mmHg
Melting Point:	80-82 °C
Density:	0.9±0.1 g/cm3
Appearance:	Solid
LogP:	11.400 (est)

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	368.36543077
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	368.36543077
Rotatable Bond Count:	22
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	10.7