Cyclopentanepropanol

HCID 69842

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Basic information

CAS: 767-05-5
Standard SMILES: OCCCC1CCCC1
InChIKey: IBMXMCXCSPGCDQ-UHFFFAOYSA-N
Molecular formula: C8H16O
Average molar mass: 128.21 g/mol
Monoisotopic mass: 128.12011513

Names & identifiers

Preferred name: Cyclopentanepropanol
IUPAC: 3-cyclopentylpropan-1-ol
English name: 3-Cyclopentyl-1-propanol
Molecular formula: C8H16O
Molecular weight: 128.21

Names & synonyms

767-05-5CyclopentanepropanolEINECS 212-177-3DTXSID60227493RefChem:581002DTXCID60149984212-177-33-Cyclopentyl-1-propanol3-cyclopentylpropan-1-olMFCD00001393Cyclopentyl-1-propanolCyclopentanepropanol-

Show more names

3-CYCLOPENTANEPROPANOLCyclopentane-1-propanol3-Cyclopentyl-1-propanol,99%3-Cyclopentyl-1-propanol 99%3-Cyclopentyl-1-propanol3-Cyclopentanepropanol2-[(3-nitro-2-pyridinyl)thio]-4-pyrimidinamine

3-cyclopentylpropanol3-(cyclopentyl)propanol3-Cyclopentyl-propan-1-olSCHEMBL78714SCHEMBL473577SCHEMBL4598997SCHEMBL6075704IBMXMCXCSPGCDQ-UHFFFAOYSA-

Database identifiers

CAS: 767-05-5
PubChem CID: 69842
DTXSID: DTXSID60227493
ChEBI: CHEBI:229379
EC Number: 212-177-3
Nikkaji: J193.143A

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 65

Physicochemical properties

Boiling point: 93 · 93-95 °C/8 mmHg (lit.)
Density: 0.907 g/mL · 0.907 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.459(lit.)
Flash point: 180 °F · 180 °F
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
InChI: 1S/C8H16O/c9-7-3-6-8-4-1-2-5-8/h8-9H,1-7H2
InChIKey: IBMXMCXCSPGCDQ-UHFFFAOYSA-N
SMILES: OCCCC1CCCC1
FDA UNII: 2 M8B7789D · B2M8B7789D
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36-51
Safety Statements: 24 · 24/25-26
WGK Germany: 3 · 3
HS Code: 29061900 · 29061900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

Safety data

wgk: 3
hs_code: 29061900
risk_code: 22-36-51
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25-26
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H319
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications

Uses3-Cyclopentyl-1-propanol was used to prepare hexadecyltrimethylammonium bromide reverse micelles, required for NMR spectroscopy of encapsulated proteins.