Cyclopentyl methyl ether (HCID 138539)

Namen und Bezeichner

Bevorzugter Name: Cyclopentyl methyl ether
IUPAC: methoxycyclopentane
Englischer Name: Cyclopentyl methyl ether
Summenformel: C6H12O
Molmasse: 100.16

Namen und Synonyme

Cyclopentyl methyl etherMethoxycyclopentane5614-37-9Cyclopentane, methoxy-Cyclopentane,methoxy-methyl cyclopentyl ether4067E5GBKBDTXSID2074958CYCLOPENTYL METHYL ETHER [MI]RefChem:581084DTXCID1042023445-090-6

Weitere Namen anzeigen

CMPECyclpentyl methyl etherDKJ33Fcyclopentyl-f whatsappcyclopentyl methyl etheMethoxycyclopentane CYCLOPENTYL METHYL ETHER

611-360-9CPMEMFCD08276401cyclopentylmethyletherMethoxycyclopentane; CPME; Methyl Cyclopentyl Ether;UNII-4067E5GBKBmethoxy-cyclopentanecylopentylmethylether

Datenbank-Bezeichner

CAS: 5614-37-9
PubChem CID: 138539
DTXSID: DTXSID2074958
UNII: 4067E5GBKB
EC Number: 445-090-6、611-360-9
Nikkaji: J191.958J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 46

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Kovats Retention Index760

Physikochemische Eigenschaften

Schmelzpunkt: -140 °C · -140°C
Siedepunkt: 106 °C · 106°C
Dichte: 0.86 · 0.86
Dampfdruck: 59.9 hPa · 59.9 hPa (25 °C)
Flammpunkt: -1 °C · -1°C(lit.)
Brechungsindex: 1.421 · 1.4210
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: 10 · APHA: ≤10
Explosionsgrenze: 1.1 · 1.10-9.90%
Wasserlöslichkeit: Miscible with water, alcohols, ketones and hydrocarbons.
Stabilität: Volatile
InChI: 1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKey: SKTCDJAMAYNROS-UHFFFAOYSA-N
SMILES: COC1CCCC1
LogP: 1.6 at · 1.6 at 20℃
EPA chemische Informationen: Cyclopentane, methoxy- (5614-37-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (32.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (62.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 115 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Cyclopentane, methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentane, methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26626；Status: Active Update: 29-04-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/6163

Peroxide Forming Chemical · 6 Einträge

Cyclopentyl methyl ether (CPME)

D: Other compounds that may form peroxides

1 ppm open new bottle, 3-10 ppm after 3 hours of air sparging and uv light on a 5 mL sample in a 50 mL flask.； 683 days to reach 100 ppm, 20 mL of sample in a brown 65 mL bottle

Watanabe et al - Org. Process Res. Dev.

Peroxide formation is slow (based on literature studies), but the reagent is still inhibited with BHT to provent possible peroxide formation.

https://doi.org/10.1021/op0680136；https://doi.org/10.1246/cl.2008.774

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 2 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (32.2%)；Skin Irrit. 2 (62.6%)；Eye Irrit. 2 (95.7%)

Flam. Liq. 2 (100%)；Acute Tox. 4 (98%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Aquatic Chronic 3 (37.3%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Cyclopentane, methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentane, methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26626；Status: Active Update: 29-04-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/6163

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN3271
hs_code: 2909 20 00
risk_code: 11-22-36/38
Toxizität: LD50 orally in Rabbit: 200 - 2000 mg/kg LD50 dermal Rat > 2000 mg/kg
hazard_code: F,Xn
safety_code: 26
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2
Selbstentzündungstemperatur: 180 °C

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <75,000 lb；2022: <75,000 lb；2021: <75,000 lb；2020: <75,000 lb

Consumer UsesFragrance

Industry UsesNot Known or Reasonably Ascertainable；Fragrance

General Manufacturing Information · 2 Einträge

All Other Chemical Product and Preparation Manufacturing；Other (requires additional information)

Cyclopentane, methoxy-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenCyclopentyl methyl ether (CPME) is an alternative to ether solvents such as THF, diethyl ether, and MTBE with a higher resistance to peroxide formation. The more environmentally conservative CPME solvent replaces hazardous solvents in order to achieve sustainability and reduce environmental and operational costs. CPME offers considerable potential and advantage as a direct replacement for CH2Cl2 in binary eluents using MeOH as the modifier with MeOH-DMC and i-PrOH-EtOAc.