Basic information
- CAS
693-65-2- Standard SMILES
CCCCCOCCCCC- InChIKey
AOPDRZXCEAKHHW-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Overview
diesel fuel additive
Names & identifiers
- Preferred name
- Pentyl ether
- IUPAC
- 1-pentoxypentane
- English name
- PENTYL ETHER
- Molecular formula
- C10H22O
- Molecular weight
- 158.28
Names & synonyms
Show more names
Database identifiers
- CAS
693-65-2- PubChem CID
- 12743
- DTXSID
DTXSID4022105- UNII
- 4G19C1NH3E
- EC Number
- 211-756-8
- Nikkaji
- J6.935C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 53.9
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 69 °C · −69 °C(lit.)
- Boiling point
- 187 · 187-188 °C(lit.)
- Density
- 0.785 g/mL · 0.785 g/mL at 25 °C(lit.)
- vapor density
- 5.46 · 5.46
- vapor pressure
- 0.7 hPa · 0.7 hPa (20 °C)
- refractive index
- 20 · n20/D 1.412(lit.)
- Flash point
- 135 °F · 135 °F
- storage temp.
- 30 °C · Store below +30°C.
- Water Solubility
- Insoluble in water
- form
- Liquid
- color
- Colorless to Almost colorless
- explosive limit
- 2 · 2.0-8.0%(V)
- Specific Heat Capacity
- 1.58 J/ · Cp(liquid): 1.58 J/(g·K), at 25℃
- Thermal Conductivity
- 0.135 W/ · 0.135 W/(m·K) at 25 ℃
- Merck
- 14 · 14,608
- BRN
- 1698030 · 1698030
- Henry's Law Constant
- 3.5 · 3.5×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 3.1 · 3.1(16℃)
- Stability
- Stable. Flammable. Incompatible with strong oxidising agents.
- InChI
- 1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
- InChIKey
- AOPDRZXCEAKHHW-UHFFFAOYSA-N
- SMILES
- CCCCCOCCCCC
- CAS DataBase Reference
- 693 · 693-65-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 G19C1NH3E · 4G19C1NH3E
- EPA Substance Registry System
- 1 · Pentane, 1,1'-oxybis- (693-65-2)
- UNSPSC Code
- 12352112 · 12352112
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 3271 · UN 3271 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 2900000 · SC2900000
- Autoignition Temperature
- 180 °C · 180 °C
- TSCA
- TSCA listed
- HS Code
- 2909 · 2909 19 90
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 164 mg/kg JPMSAE 67,566,78
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pentane, 1,1'-oxybis-
Pentane, 1,1'-oxybis-: Does not have an individual approval but may be used under an appropriate group standard
Peroxide Forming Chemical
n-Amyl ether
D: Other compounds that may form peroxides
Kelly
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SC2900000
- ridadr
- UN 3271 3/PG 3
- hs_code
- 2909 19 90
- Toxicity
- LD50 ivn-mus: 164 mg/kg JPMSAE 67,566,78
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
- Autoignition Temperature
- 180 °C
- Precautionary statements
- P210-P233-P240-P241-P242-P243
Chemistry & industry
Uses & manufacturing
Applications
UsesIndustrial solvent.
UsesDipentyl ether has been used to compose the binary mixtures with various imidazole derivatives. Solid-liquid equilibrium (SLE) of these binary mixtures have been evaluated by a dynamic method.
General DescriptionDipentyl ether (1,1-Dipentyl ether, DPeE) is an aliphatic diether. It is formed as one of the major product during the dehydration of pentan-1-ol.
Preparation methods
Preparation1、Pentyl ether can be prepared from iso-Amylalcohol by dehydration.2、It can be prepared from iso-Amylbromide and Sodium amylalcoholate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers44 total
Related reactions
Compound notes
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