Isodecanol

Catalog Number	ACM55505265
CAS	55505-26-5
Structure
IUPAC Name	8-methylnonan-1-ol
Synonyms	Isodecanol;8-methylnonan-1-ol;8-methyl-1-nonanol;68526-85-2;ISODECYL ALCOHOL;25339-17-7;55505-26-5;1-Nonanol, 8-methyl-;iso-Decylalcohol;UNII-3160X491M7;ISO-DECYL ALCOHOL;Alcohols, C9-11-iso-,C10-rich;C9-11-iso-, C10-rich Alcohols;3160X491M7;8-Methylnonanol;Alcohols, C9-11-branched;HSDB 616;EINECS 246-869-1;EINECS 271-360-6;(C9-11) Branched aliphatic alcohols;8-Methyl-nonan-1-ol;CC(C)CCCCCCC[O];EC 271-360-6;SCHEMBL20345;68551-08-6;DTXSID3058660;ZINC2013559;0582AC;AKOS009031513;LS-13911;DB-055163;AM20120580;FT-0641190;FT-0654308;FT-0672037;526I852;A817796;Q2582737
Molecular Weight	158.28g/mol
Molecular Formula	C10H22O;C10H21OH;C10H22O
Canonical SMILES	CC(C)CCCCCCCO
InChI	InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3
InChI Key	PLLBRTOLHQQAQQ-UHFFFAOYSA-N
Boiling Point	428 °F at 760 mm Hg (USCG, 1999);220 °C;220 °C
Melting Point	less than 140 °F (USCG, 1999);FP: LESS THAN 140 °F= LESS THAN 60 °C= LESS THAN 333 DEG K;7 °C
Flash Point	220 °F (USCG, 1999);220 °F;104 °C o.c.
Density	0.841 at 68 °F (USCG, 1999);0.8395;Relative density (water = 1): 0.84
Solubility	Insoluble in water;In water, 150 mg/L at 25 °C (est);Solubility in water, g/100ml: 2.5
Color Form	Colorless liquid
Complexity	69.3
Covalently-Bonded Unit Count	1
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
EC Number	271-234-0;271-360-6;246-869-1
Exact Mass	158.167065321g/mol
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Log P	log Kow = 3.71 (est)
Monoisotopic Mass	158.167065321g/mol
Odor	WEAK ALCOHOLIC
Rotatable Bond Count	7
RTECS Number	NR0960000
Topological Polar Surface Area	20.2Å²
UNII	3160X491M7
UN Number	3082
Vapor Density	5.5 (AIR= 1);Relative vapor density (air = 1): 5.5
Vapor Pressure	0.0207 mm Hg at 25 °C;Vapor pressure, kPa at 70 °C: 0.13
X Log P3	3.8

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