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2-イソプロピル-3-(2-ヒドロキシエチル)オキサゾリジン

2-Isopropyl-1,3-oxazolidine-3-ethanol

HCID 120043
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基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
28770-01-6
標準SMILES
CC(C)C1OCCN1CCO
InChIKey
DZARITHRMKPIQB-UHFFFAOYSA-N
分子式
C8H17NO2
平均分子量
159.23 g/mol
単同位体質量
159.12592879

名称と識別子

優先名称
2-Isopropyl-1,3-oxazolidine-3-ethanol
IUPAC
2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol
現地名
2-イソプロピル-3-(2-ヒドロキシエチル)オキサゾリジン
英語名
3-Oxazolidineethanol,2-(1-methylethyl)-(9CI)
分子式
C8H17NO2
分子量
159.23

名称と別名

28770-01-63-Oxazolidineethanol, 2-(1-methylethyl)-2-Isopropyl-3-oxazolidineethanol2-Isopropyl-1,3-oxazolidine-3-ethanolJ4R1U8EA8D2-(2-isopropyl-1,3-oxazolidin-3-yl)ethanolDTXSID30865447EC 608-245-02-(2-(Propan-2-yl)-1,3-oxazolidin-3-yl)ethanoln-(2-hydroxyethyl)-2-isopropyloxazolidine2-ISOPROPYL-3-(2-HYDROXYETHYL)-1,3-OXAZOLIDINE2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethanol
名称をさらに表示
2-イソプロピルオキサゾリジン-3-エタノール2-(2-イソプロピル-1,3-オキサゾリジン-3-イル)エタノール2-(2-イソプロピルオキサゾリジン-3-イル)エタノール2-(1-メチルエチル)-3-オキサゾリジンエタノール2-イソプロピル-3-(2-ヒドロキシエチル)オキサゾリジン2-[2-(プロパン-2-イル)-1,3-オキサゾリジン-3-イル]エタン-1-オール2-(1-methyl)-3-azolealkanethanol2-Isopropyloxazolidine-3-ethanol2-(1-methylethyl)-3-oxazolidineethano2-(2-Isopropyloxazolidine-3-yl)ethanol3-OXAZOLIDINEETHANOL,2-(1-METHYLETHYL)-2-Isopropyl-3-(2-hydroxyethyl)oxazolidine
RefChem:473872DTXCID00813854608-245-02-(2-Isopropyloxazolidin-3-yl)ethanolMFCD188186442-(1-Methylethyl)-3-oxazolidineethanol3-Oxazolidineethanol,2-(1-Methylethyl)-(9CI)2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol

データベース識別子

CAS
28770-01-6
PubChem CID
120043
DTXSID
DTXSID30865447
UNII
J4R1U8EA8D
EC Number
608-245-0
Nikkaji
J62.496I

物性

構造計算による物性補完中

XLogP
0.7
極性表面積
32.7 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
3
重原子数
11
形式電荷
0
複雑度
117

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

沸点
241.8 · 241.8±25.0 °C(Predicted)
比重(密度)
1.007 · 1.007±0.06 g/cm3(Predicted)
蒸気圧
0.08 Pa · 0.08Pa at 25℃
貯蔵温度
Sealed in dry,Room Temperature
酸解離定数(Pka)
14.62 · 14.62±0.10(Predicted)
水溶解度
612 g/L · 612g/L at 25℃
LogP
0.06 at · 0.06 at 25℃
EPAの化学物質情報
3 · 3-Oxazolidineethanol, 2-(1-methylethyl)- (28770-01-6)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 13.6% (27 of 198) of reports.

Danger

H302 (85.9%): Harmful if swallowed [Warning Acute toxicity, oral];H317 (86.4%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (86.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 198 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 27 of 198 reports by companies.;There are 2 notifications provided by 171 of 198 reports by companies with hazard statement code(s).;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 · 4 件

Chemical: 3-Oxazolidineethanol, 2-(1-methylethyl)-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. If the assessment report about the chemical recommends secondary notification of the chemical in particular circumstances and any of the circumstances occur in relation to the introduction (importation or manufacture) of the chemical by a person, then the person introducing this chemical must tell us in writing within 28 calendar days that the circumstances have occurred.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

化学と産業

用途と製造

U.S. Production2023: 500,000 - <1,000,000 lb;2022: 1,000,000 - <8,500,000 lb;2021: 500,000 - <1,000,000 lb;2020: 500,000 - <1,000,000 lb
Consumer UsesPaint additives and coating additives not described by other categories
Industry UsesIntermediate;Paint additives and coating additives not described by other categories
General Manufacturing Information · 2 件

Paint and Coating Manufacturing;All Other Chemical Product and Preparation Manufacturing

3-Oxazolidineethanol, 2-(1-methylethyl)-: ACTIVE

サプライヤー

読み込み中…

公開中の見積依頼

読み込み中…

関連反応

3 件
反応記録を作成
HRID 297911 の反応式
HRID 297911反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1414693 の反応式
HRID 1414693反応物としてuspto-grants-1977_01
HRID 1414694 の反応式
HRID 1414694反応物としてuspto-grants-1977_01

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

3-Oxazolidineethanol, 2-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Oxazolidineethanol, 2-(1-methylethyl)- 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)

Status: Active Update: 17-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/6622

3-Oxazolidineethanol, 2-(1-methylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (85.9%);Skin Sens. 1 (86.4%);Eye Dam. 1 (86.4%)

法規制情報

Regulatory Information · 4 件

Chemical: 3-Oxazolidineethanol, 2-(1-methylethyl)-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. If the assessment report about the chemical recommends secondary notification of the chemical in particular circumstances and any of the circumstances occur in relation to the introduction (importation or manufacture) of the chemical by a person, then the person introducing this chemical must tell us in writing within 28 calendar days that the circumstances have occurred.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

3-Oxazolidineethanol, 2-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Oxazolidineethanol, 2-(1-methylethyl)- 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)

Status: Active Update: 17-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/6622

3-Oxazolidineethanol, 2-(1-methylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

tsca
TSCA listed
化審法
新規公示化学物質(2011年3月31日以前届出)