1,2-Dodecanediol - CAS 1119-87-5

Catalog:	BB002845
Product Name:	1,2-Dodecanediol
CAS:	1119-87-5
Synonyms:	dodecane-1,2-diol

Technical Data

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Computed Properties

IUPAC Name:	dodecane-1,2-diol
Description:	1,2-Dodecanediol (CAS# 1119-87-5) is a useful research chemical.
Molecular Weight:	202.33
Molecular Formula:	C12H26O2
Canonical SMILES:	CCCCCCCCCCC(CO)O
InChI:	InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3
InChI Key:	ZITKDVFRMRXIJQ-UHFFFAOYSA-N
Boiling Point:	304.3 °C at 760 mmHg
Melting Point:	56-60°C
Flash Point:	134.3°C
Density:	0.911 g/cm³
Solubility:	water, 33.29 mg/L @ 25 °C (est)
Appearance:	White to almost white powder to crystaline
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00004726
LogP:	2.87040
Refractive Index:	1.458

Publication Number	Title	Priority Date
EP-3838891-A1	Aldimines and uses thereof	20191219
WO-2021122594-A1	Aldimines and uses thereof	20191219
WO-2021126986-A1	Redeposition inhibiting polymers and detergent compositions containing same	20191219
WO-2021115909-A1	Avoiding creasing tendency of textiles	20191210
US-2021147650-A1	Methods of manufacturing articles utilizing foam particles	20191119

PMID	Publication Date	Title	Journal
22305293	20120204	Identification of avian wax synthases	BMC biochemistry
22523593	20120101	1,2-Octanediol, a novel surfactant, for treating head louse infestation: identification of activity, formulation, and randomised, controlled trials	PloS one
21435649	20110601	Structure and morphology of spinel MFe2O4 (M=Fe, Co, Ni) nanoparticles chemically synthesized from heterometallic complexes	Journal of colloid and interface science
19708882	20091001	Production of bioactive metabolites by Nocardia levis MK-VL_113	Letters in applied microbiology
19772552	20090921	Formulation of novel lipid-coated magnetic nanoparticles as the probe for in vivo imaging	Journal of biomedical science

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.193280068
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	202.193280068
Rotatable Bond Count:	10
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4