uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440922B2
查看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
- 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
Physical Description
Liquid
Kovats Retention Index
760
GHS
GHS分类
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
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
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
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
REACTIONS
参与反应
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