CAS 1120-06-5 2-Decanol (HCID 14254)

Overview

Decan-2-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 2. It has a role as a nematicide, an animal metabolite and a bacterial metabolite. It is a decanol and a secondary alcohol.

Names & identifiers

Preferred name: 2-Decanol
IUPAC: decan-2-ol
English name: 2-DECANOL
Molecular formula: C10H22O
Molecular weight: 158.28

Names & synonyms

2-DECANOLDecan-2-olDecanol-2Methyl-n-octyl carbinolSLY85BY3SSMethyl octyl carbinolNSC-67349DTXSID908625532HydroxydecaneDecan2olRefChem:86658(+-)-2-DECANOL

Show more names

ecan-2-olAI3-11545NSC 673492-decylol2-DECANOL 98%2-Decanol,98%

DTXCID808112972-DECANOL, (+-)-ACUZDYFTRHEKOS-UHFFFAOYSA-N1120-06-52-Hydroxydecane2-Decyl AlcoholMethyl-n-octylcarbinolMFCD00004594

Database identifiers

CAS: 1120-06-5
PubChem CID: 14254
DTXSID: DTXSID90862553
ChEMBL: CHEMBL46477
ChEBI: CHEBI:195600
UNII: SLY85BY3SS
EC Number: 214-296-6
Nikkaji: J80.157G

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 11
Formal charge: 0
Complexity: 71.3

Experimental & physicochemical properties

SolventsSolvents -> Alcohols (<C12)

SpringerMaterials PropertiesBoiling point

Physical DescriptionClear colorless liquid; [Aldrich MSDS]

Physicochemical properties

Melting point: -6 · -6--4 °C (lit.)
Boiling point: 211 °C · 211 °C (lit.)
Density: 0.827 g/mL · 0.827 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.434(lit.)
Flash point: 185 °F · 185 °F
storage temp.: 30 °C · Store below +30°C.
form: Liquid
pka: 15.29 · 15.29±0.20(Predicted)
color: Clear colorless
Water Solubility: Not miscible in water.
BRN: 1719664 · 1719664
Henry's Law Constant: 5.4 · 5.4×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997)
InChI: 1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3
InChIKey: ACUZDYFTRHEKOS-UHFFFAOYSA-N
SMILES: CCCCCCCCC(C)O
LogP: 3.74 · 3.740 (est)
CAS DataBase Reference: 1120 · 1120-06-5(CAS DataBase Reference)
FDA UNII: 85 BY3SS · SLY85BY3SS
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501 · P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,N,Xn,F
Risk Statements: 36 · 36-51/53-15-10
Safety Statements: 26 · 26-61-43-7/8
RIDADR: 3082 · UN 3082 9/PG 3
WGK Germany: 3 · 3
HS Code: 29051900 · 29051900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Not Classified

Hazard information

Hazards SummaryA skin, respiratory tract, and strong eye irritant; [Aldrich MSDS] See 1-Decanol.

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3082 9/PG 3
hs_code: 29051900
risk_code: 36-51/53-15-10
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: Xi,N,Xn,F
safety_code: 26-61-43-7/8
Storage Class: 10 - Combustible liquids
Hazard statements: H227
Precautionary statements: P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501

Chemistry & industry

Applications · 2 items

Uses2-Decanol is used to develop a miniature catalytic reactor for the oxidation of alcohols with O2 in supercritical CO2. It was used to study the substrate spectrum of phytanoyl-CoA hydroxylase with regard to the length of both the acyl chain and the branch at position.

General Description2-Decanol undergoes Ru(OCOCF3)2(CO)(PPh3)2-catalyzed hydrogen elimination reaction.