反应SMILES:COC1CCCC1
HCID138539

Cyclopentyl methyl ether

methoxycyclopentane

C6H12O100.16 g/molCAS 5614-37-9

IDENTITY

结构与身份

标准SMILES
COC1CCCC1
InChIKey
SKTCDJAMAYNROS-UHFFFAOYSA-N
分子式
C6H12O
平均分子量
100.16 g/mol
单同位素质量
100.088815

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
9.2 Ų
氢键供体
0
氢键受体
1
可旋转键
1
重原子
7
形式电荷
0
复杂度
46

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Liquid

Kovats Retention Index

760

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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

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

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%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

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

USES

用途与制造

来源:PubChem
U.S. Production

2023: <75,000 lb;2022: <75,000 lb;2021: <75,000 lb;2020: <75,000 lb

Consumer Uses

Fragrance

Industry Uses

Not Known or Reasonably Ascertainable;Fragrance

General Manufacturing Information

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

Cyclopentane, methoxy-: ACTIVE

ALIASES

名称与别名

共 48 条
Cyclopentyl methyl etherMethoxycyclopentane5614-37-9Cyclopentane, methoxy-Cyclopentane,methoxy-methyl cyclopentyl ether4067E5GBKBDTXSID2074958CYCLOPENTYL METHYL ETHER [MI]RefChem:581084DTXCID1042023445-090-6611-360-9CPMEMFCD08276401cyclopentylmethyletherMethoxycyclopentane; CPME; Methyl Cyclopentyl Ether;UNII-4067E5GBKBmethoxy-cyclopentanecylopentylmethylether

REACTIONS

参与反应

37
HRID61739

uspto-grants-2016_09

作为反应物
HRID 61739 方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440922B2

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HRID163545

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 163545 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID178147

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 178147 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID214309

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 214309 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID286597

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 286597 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID420262

uspto-grants-2012_01

作为反应物
HRID 420262 方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093403B2

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HRID523354

uspto-grants-2016_05

作为反应物
HRID 523354 方程式

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09334302B2

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HRID573502

uspto-grants-2015_05

作为反应物
HRID 573502 方程式

uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09029592B2

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