CAS 5614-37-9 Cyclopentyl methyl ether (HCID 138539)

名称と識別子

優先名称: Cyclopentyl methyl ether
IUPAC: methoxycyclopentane
現地名: メトキシシクロペンタン
英語名: Cyclopentyl methyl ether
分子式: C6H12O
分子量: 100.16

名称と別名

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

名称をさらに表示

メトキシシクロペンタンシクロペンチルメチルエ-テルシクロペンチルメチルエーテルシクロペンチルメチルエーテル(脱水)シクロペンチルメチルエーテル(脱水) ‐SUPER‐シクロペンチルメチルエーテル(超脱水)(安定剤含有)CPME(脱水)CPME(脱水) -Super-シクロペンチルメチルエーテル(脱水) -Super-CMPECyclpentyl methyl etherDKJ33Fcyclopentyl-f whatsappcyclopentyl methyl etheMethoxycyclopentane CYCLOPENTYL METHYL ETHER

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.3
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 46

実験および物理化学的性質

Physical DescriptionLiquid

Kovats Retention Index760

物理化学的性質

融点: -140 °C · -140°C
沸点: 106 °C · 106°C
比重(密度): 0.86 · 0.86
蒸気圧: 59.9 hPa · 59.9 hPa (25 °C)
闪点: -1 °C · -1°C(lit.)
屈折率: 1.421 · 1.4210
貯蔵温度: 30 °C · Store below +30°C.
溶解性: クロロホルム（少量）、メタノール（少量）
外見: 液体
色: 10 · APHA: ≤10
爆発限界(explosive limit): 1.1 · 1.10-9.90%
水溶解度: 水、アルコール、ケトン、炭化水素と混和します。
安定性: 揮発性
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の化学物質情報: Cyclopentane, methoxy- (5614-37-9)

化学的性質

化学的特性Clear liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 3 件

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 件

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 件

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%)

法規制情報

Regulatory Information · 3 件

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

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN3271
毒性: LD50 orally in Rabbit: 200 - 2000 mg/kg LD50 dermal Rat > 2000 mg/kg
hs_code: 2909 20 00
risk_code: 11-22-36/38
化審法: (3)-4548
消防法: 危-4-1-II
hazard_code: F,Xn
safety_code: 26
hazard_class: 3
packing_group: II
自然発火温度: 180 °C
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

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 件

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

Cyclopentane, methoxy-: ACTIVE

応用分野 · 2 件

使用Cyclopentyl 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.

一般的な説明Cyclopentyl methyl ether (CPME) is a greener alternative to other ethereal solvents such as tetrahydrofuran (THF), 2-methyl tetrahydrofuran (2-MeTHF), dioxane (carcinogenic), tert-Butyl methyl ether (MTBE), and 1,2-dimethoxyethane (DME) and thus has been enhanced for "Safer Solvents and Auxiliaries".