基本情報
- CAS
120811-92-9- 標準SMILES
COCC(C)Cc1ccccc1- InChIKey
YRELUSXNOZNOQI-UHFFFAOYSA-N- 分子式
- C11H16O
- 平均分子量
- 164.24 g/mol
- 単同位体質量
- 164.12011513
名称と識別子
- 優先名称
- (3-Methoxy-2-methylpropyl)benzene
- IUPAC
- (3-methoxy-2-methylpropyl)benzene
- 現地名
- (3-メトキシ-2-メチルプロピル)ベンゼン
- 英語名
- Benzene,(3-methoxy-2-methylpropyl)-
- 分子式
- C11H16O
- 分子量
- 164.24
名称と別名
名称をさらに表示
データベース識別子
- CAS
120811-92-9- PubChem CID
- 22336876
- DTXSID
DTXSID0051318- EC Number
- 430-150-6、639-064-5
- Nikkaji
- J3.422.058A
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 9.2 Ų
- 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
- 4
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 106
物理化学的性質
- 融点
- 34 °C · 34 °C
- 沸点
- 130 °C · 130 °C(Press: 12 Torr)
- 比重(密度)
- 0.983 g/cm3 · 0.983 g/cm3(Temp: 74 °C)
- 臭い (Odor)
- 100 %で。フローラル · 100.00%で。フローラル グリーン バラの花びら フルーティー
- においのタイプ
- 花柄
- LogP
- 3.57 · 3.570
- EPAの化学物質情報
- Benzene, (3-methoxy-2-methylpropyl)- (120811-92-9)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 89 of 89 reports by companies.;There are 0 notifications provided by 0 of 89 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.
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.;There are 0 notifications provided by 0 of 2 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
Chemical: Benzene, (3-methoxy-2-methylpropyl)-;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 assessmentâit 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.
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 22-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18617;Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9806
Hazard Classes and Categories
Not Classified
Not Classified
法規制情報
Regulatory Information
Chemical: Benzene, (3-methoxy-2-methylpropyl)-;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 assessmentâit 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.
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 22-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18617;Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9806
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
サプライヤー3 社
関連反応
化合物ノート
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