2-フェニル-1-プロパノール
2-Phenyl-1-propanol
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基本情報
- CAS
1123-85-9- 標準SMILES
CC(CO)c1ccccc1- InChIKey
RNDNSYIPLPAXAZ-UHFFFAOYSA-N- 分子式
- C9H12O
- 平均分子量
- 136.19 g/mol
- 単同位体質量
- 136.088815
概要
2-Phenyl-1-propanol is a member of benzenes.
名称と識別子
- 優先名称
- 2-Phenyl-1-propanol
- IUPAC
- 2-phenylpropan-1-ol
- 現地名
- 2-フェニル-1-プロパノール
- 英語名
- beta-Methylphenethyl alcohol
- 分子式
- C9H12O
- 分子量
- 136.19
名称と別名
2-Phenylpropan-1-ol2-Phenyl-1-propanol1123-85-9Hydratropic alcoholbeta-Methylphenethyl alcohol2-Phenylpropyl alcoholHydratropyl alcohol1-Hydroxy-2-phenylpropane2-Phenylpropanol-11-Propanol, 2-phenyl-Benzeneethanol, beta-methyl-FEMA No. 2732
名称をさらに表示
2-フェニル-1-プロパノールヒドロアトロピルアルコールβ-フェニルプロピルアルコールβ-メチルフェネチルアルコールヒドロアトロパアルコール2-フェニルプロピルアルコールβ-メチルベンゼンエタノール2-フェニルプロパン-1-オールFEMA 27322-PHENYL PROPYL ALCOHOL3-Bromo-β2-phenylpropan-HYDRATROPAALKOHOLhydratropylalcohol
DTXSID8037756NSC-523227ZYZ88DWUPHENETHYL ALCOHOL, beta-METHYL-DTXCID6017756RefChem:478219214-379-7Benzeneethanol, .beta.-methyl-
データベース識別子
- CAS
1123-85-9- PubChem CID
- 14295
- DTXSID
DTXSID8037756- ChEMBL
CHEMBL2323841- ChEBI
CHEBI:193640- UNII
- 27ZYZ88DWU
- EC Number
- 214-379-7
- Nikkaji
- J69.580G
物性
構造計算による物性補完中
- XLogP
- 2.4
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 84.7
実験および物理化学的性質
PolymersOther Classes -> Alcohols and Polyols, Other
FragrancesFragrance Ingredient (beta-Methylphenethyl alcohol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.971-0.978
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in oils; Slightly soluble in water
Soluble (in ethanol)
Boiling Point
113.00 to 114.00 °C. @ 14.00 mm Hg
219 °C
Refractive Index1.523-1.530
Physical Description
Colorless liquid; [Alfa Aesar MSDS]
Colourless liquid; Sweet floral lilac, hyacinth type aroma
物理化学的性質
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
This chemical does not meet GHS hazard criteria for 93.1% (268 of 288) of all reports.
Not Classified
Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzeneethanol, .beta.-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-phenylpropan-1-ol (EC: 214-379-7)
Benzeneethanol, .beta.-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary
Causes changes in liver, bladder, and kidney weights, changes in erythrocyte count, normocytic anemia, and weight loss in 13-week oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SG8590000
- hs_code
- 29062900
- risk_code
- 22
- 化審法
- (3)-1034
- 消防法
- 危-4-3-III
- hazard_code
- Xn
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneethanol, .beta.-methyl-: ACTIVE
応用分野
用途有機合成原料。
説明β-Methylphenethyl alcohol has a faint, aromatic odor reminiscent of hyacinth. May be prepared by reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known.
使用2-Phenyl-1-propanol was used to study the synergism between enzyme catalysis and microwave irradiation.
一般的な説明The mass spectra of 2-phenyl-1-propanol was studied by positive- and negative-ion-fast atom bombardment-mass spectrometric ionization technique.
調製方法
製造方法By reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known
2-Phenyl-1-propanol is made by the catalytic hydrogenation of 2-phenylpropanal. It is used as a component of fragrances and as a food flavoring agent.
上流・下流製品情報
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