Cyclopentyl methyl ether (HCID 138539)

이름 및 식별자

우선 이름: Cyclopentyl methyl ether
IUPAC: methoxycyclopentane
현지명: 메톡시시클로펜탄
영어명: Cyclopentyl methyl ether
분자식: C6H12O
분자량: 100.16

이름 및 동의어

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

이름 더 보기

메톡시시클로펜탄시클로펜틸메틸에테르CMPECyclpentyl methyl etherDKJ33Fcyclopentyl-f whatsappcyclopentyl methyl etheMethoxycyclopentane CYCLOPENTYL METHYL ETHER

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 46

실험 및 물리화학적 성질

Physical DescriptionLiquid

Kovats Retention Index760

물리화학적 성질

녹는점: -140 °C · -140°C
끓는 점: 106 °C · 106°C
밀도: 0.86 · 0.86
증기압: 59.9 hPa · 59.9 hPa (25 °C)
인화점: -1 °C · -1°C(lit.)
굴절률: 1.421 · 1.4210
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 10 · APHA: ≤10
폭발한계: 1.1 · 1.10-9.90%
수용성: 물, 알코올, 케톤 및 탄화수소와 혼합 가능합니다.
안정성: 휘발성 물질
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: Cyclopentane, methoxy- (5614-37-9)

화학적 성질

Clear liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 3건

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 · 6건

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 · 2건

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%)

규제 정보

Regulatory Information · 3건

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN3271
독성: LD50 orally in Rabbit: 200 - 2000 mg/kg LD50 dermal Rat > 2000 mg/kg
HS 번호: 2909 20 00
risk_code: 11-22-36/38
hazard_code: F,Xn
safety_code: 26
포장분류: II
위험 등급: 3
기존화학 물질: 2010-3-4628
자연 발화 온도: 180 °C
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

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 · 2건

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

Cyclopentane, methoxy-: ACTIVE

응용 분야 · 2건

용도Cyclopentyl 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.

일반 설명Cyclopentyl 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".