Basic information
- CAS
111-89-7- Standard SMILES
COCCCCCOC- InChIKey
NFCBHIFOKVDBCJ-UHFFFAOYSA-N- Molecular formula
- C7H16O2
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 132.11502975
Names & identifiers
- Preferred name
- 1,5-Dimethoxypentane
- IUPAC
- 1,5-dimethoxypentane
- English name
- 1,5-Dimethoxypentane
- Molecular formula
- C7H16O2
- Molecular weight
- 132.2
Names & synonyms
1,5-DIMETHOXYPENTANE111-89-7Pentane, 1,5-dimethoxy-CH3O(CH2)5OCH3DTXSID20149440NSC 97204RefChem:73489DTXCID3071931601-135-3NFCBHIFOKVDBCJ-UHFFFAOYSA-N2,8-DioxanonaneMFCD03613608
Show more names
1,5-Dimethoxypentane>Pentane, 1,5-dimethoxy-Pentamethylene Glycol Dimethyl Ether 1,5-Pentanediol Dimethyl Ether
4GFM9MVT371,5-Pentanediol Dimethyl EtherNSC97204Pentamethylene Glycol Dimethyl EtherNSC-97204UNII-4GFM9MVT37SCHEMBL13313129AKOS015913318
Database identifiers
- CAS
111-89-7- PubChem CID
- 8145
- DTXSID
DTXSID20149440- UNII
- 4GFM9MVT37
- EC Number
- 601-135-3
- Nikkaji
- J46.520H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 40.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 161 °C · 161 °C (lit.)
- Density
- 0.843 g/mL · 0.843 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.408(lit.)
- Flash point
- 140 °F · 140 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- 1S/C7H16O2/c1-8-6-4-3-5-7-9-2/h3-7H2,1-2H3
- InChIKey
- NFCBHIFOKVDBCJ-UHFFFAOYSA-N
- SMILES
- COCCCCCOC
- FDA UNII
- 4 GFM9MVT37 · 4GFM9MVT37
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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 41 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2909.19.1800
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P403+P235-P501
Chemistry & industry
Applications
Uses1,5-Dimethoxypentane (1,5-DMP) is an aliphatic diether. Its conformational analysis using Raman and infrared spectra recorded in crystalline solid state indicates that it exists in trans conformation. The Gibbs energy of hydration (at 298.15K and 0.1MPa) and Antoine constants of 1,5-DMP have been determined.
General Description1,5-Dimethoxypentane (1,5-DMP) is an aliphatic diether. Its conformational analysis using Raman and infrared spectra recorded in crystalline solid state indicates that it exists in trans conformation. The Gibbs energy of hydration (at 298.15K and 0.1MPa) and Antoine constants of 1,5-DMP have been determined.
Suppliers39 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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