メチル(フェニルメチル)ベンゼン
2-Benzyltoluene
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基本情報
- CAS
27776-01-8- 標準SMILES
Cc1ccccc1Cc1ccccc1- InChIKey
PQTAUFTUHHRKSS-UHFFFAOYSA-N- 分子式
- C14H14
- 平均分子量
- 182.26 g/mol
- 単同位体質量
- 182.10955045
概要
heat transfer agent; RN given refers to cpd without specified locants
名称と識別子
- 優先名称
- 2-Benzyltoluene
- IUPAC
- 1-benzyl-2-methylbenzene
- 現地名
- メチル(フェニルメチル)ベンゼン
- 英語名
- benzyltoluene
- 分子式
- C14H14
- 分子量
- 182.26096
名称と別名
2-Methyldiphenylmethane2-Benzyltoluene713-36-0o-BenzyltolueneBenzyltolueneMethane, phenyl-o-tolyl-o-Tolylphenylmethane1-Methyl-2-benzylbenzenePhenyl-o-tolylmethaneBenzene, 1-methyl-2-(phenylmethyl)-27776-01-8Monobenzyl toluene
名称をさらに表示
メチル(フェニルメチル)ベンゼンBenzyltoluolNeo SK-OIL 1300Benzyl toluene(Mixture)27776-01-8 benzyltolueneMethyl(phenylmethyl)benzene
Benzene, methyl(phenylmethyl)-alpha-Phenyl-o-xyleneM5THG68A7CNSC 75366EINECS 211-927-7EINECS 248-654-8NSC-753660RR5LJC1NR
データベース識別子
- CAS
27776-01-8、713-36-0- PubChem CID
- 69738
- DTXSID
DTXSID40892047- UNII
- M5THG68A7C
- EC Number
- 211-927-7、248-654-8
- Nikkaji
- J116.805C
物性
構造計算による物性補完中
- XLogP
- 4.7
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 2
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 155
実験および物理化学的性質
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials PropertiesDensity
Vapor Pressure0.003 [mmHg]
Physical Description
Liquid
Liquid; [IUCLID] Clear liquid with an aromatic odor; [Nisseki Chemical Texas MSDS]
物理化学的性質
- 融点
- -55 °C · -55 °C
- 沸点
- 125 · 125-128 °C(Press: 7 Torr)
- 比重(密度)
- 0.999 · 0.999[at 20℃]
- 蒸気圧
- 0.66 · 0.66-1.33Pa at 20℃
- 水溶解度
- 3.7 · 3.7-3.97mg/L at 20℃
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- InChI
- InChI=1S/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
- InChIKey
- SIYISNUJKMAQBV-UHFFFAOYSA-N
- SMILES
- C1(=CC=C(C)C=C1)CC1C=CC=CC=1
- LogP
- 4.35 · 4.35-4.935 at 20-25℃
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
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P264, P273, P280, P301+P316, P302+P352, P321, P331, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 82 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
危険有害性情報
Regulatory Information
Chemical: Benzene, methyl(phenylmethyl)-
Benzene, methyl(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, methyl(phenylmethyl)- 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: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2131
Benzene, methyl(phenylmethyl)-: 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.
Hazards Summary
Contains 2-5% 1,1-diphenylethane (CAS# 612-00-0) and 0-2% diphenylmethane (CAS# 101-81-5); A moderate skin and minor eye irritant in rabbits; Not a skin sensitizer in guinea pigs; Inhalation overexposure may cause CNS depression; An aspiration hazard by ingestion (may cause lung damage); [Nisseki Chemical Texas MSDS] See Diphenylmethane.
Hazard Classes and Categories
Asp. Tox. 1 (100%)
Skin Irrit. 2 (100%)
毒性情報
化学と産業
用途と製造
UsesUsed as a heat transfer agent; [ChemIDplus] Used as an insulating fluid for high voltage capacitors; [Nisseki Chemical Texas MSDS]
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesInsulators
Industry UsesIntermediate
General Manufacturing Information
Electrical Equipment, Appliance, and Component Manufacturing
Benzene, 1-methyl-2-(phenylmethyl)-: INACTIVE
Benzene, methyl(phenylmethyl)-: ACTIVE
関連反応
25 件
化合物ノート
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