6-Undecanol

HCID 32045

Notes Reactions

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Basic information

CAS: 23708-56-7
Standard SMILES: CCCCCC(O)CCCCC
InChIKey: YBIXBBGRHOUVBB-UHFFFAOYSA-N
Molecular formula: C11H24O
Average molar mass: 172.31 g/mol
Monoisotopic mass: 172.18271539

Names & identifiers

Preferred name: 6-Undecanol
IUPAC: undecan-6-ol
English name: 6-Undecanol
Molecular formula: C11H24O
Molecular weight: 172.31

Names & synonyms

6-UNDECANOLUndecan-6-olUndecanol-6Diamyl carbinolEINECS 245-837-4AI3-35684DTXSID60178370NSC 158434RefChem:105296DTXCID90100861245-837-4YBIXBBGRHOUVBB-UHFFFAOYSA-N

Show more names

DK691DKSI1766-Undecanol,97%6-UNDECANOL 97%Di-n-amyl carbinol~Di-n-pentyl carbinol

23708-56-7MFCD00021951diamylcarbinol6-hendecanol1-pentylhexanol6-hydroxyundecaneNSC158434SCHEMBL327431

Database identifiers

CAS: 23708-56-7
PubChem CID: 32045
DTXSID: DTXSID60178370
ChEBI: CHEBI:195613
EC Number: 245-837-4
Nikkaji: J102.384E

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 12
Formal charge: 0
Complexity: 71

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1275；1281；1281

1660；1640；1640

Physicochemical properties

Melting point: 25 · 25-26°C
Boiling point: 117 · 117-118°C 16mm
Density: 0 · 0,83 g/cm3
refractive index: 1.4374 · 1.4374
Flash point: 60 °C · 60 °C
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: powder to lump to clear liquid
pka: 15.58 · 15.58±0.20(Predicted)
color: White or Colorless to Light yellow
InChI: InChI=1S/C11H24O/c1-3-5-7-9-11(12)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKey: YBIXBBGRHOUVBB-UHFFFAOYSA-N
SMILES: CCCCCC(O)CCCCC
LogP: 4.249 · 4.249 (est)
CAS DataBase Reference: 23708 · 23708-56-7(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 228 · H228
Precautionary statements: 210 · P210-P240-P241-P280-P370+P378
Safety Statements: 24 · 24/25
RIDADR: 1993 · 1993
HS Code: 2905.19 · 2905.19.9090
HazardClass: 3.2 · 3.2
PackingGroup: III
Limited Quantities: 5 Kg · 5.0 Kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Sol. 2 (100%)

Safety data

ridadr: 1993
hs_code: 2905.19.9090
Signal word: Warning
Symbol(GHS): GHS02
safety_code: 24/25
hazard_class: 3.2
packing_group: III
Hazard statements: H228
Limited Quantities: 5.0 Kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P210-P240-P241-P280-P370+P378