2-Phenyl-1-propanol (HCID 14295)

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

XLogP: 2.4
極性表面積: 20.2 Å²
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

実験および物理化学的性質

Density0.971-0.978

Solubility · 2 件

Soluble in oils; Slightly soluble in water

Soluble (in ethanol)

Boiling Point · 2 件

113.00 to 114.00 °C. @ 14.00 mm Hg

219 °C

Refractive Index1.523-1.530

Physical Description · 2 件

Colorless liquid; [Alfa Aesar MSDS]

Colourless liquid; Sweet floral lilac, hyacinth type aroma

Kovats Retention Index · 3 件

1144.6

1179

1975.1；1920

物理化学的性質

融点: -37 °C · -37 °C
沸点: 110 · 110-111 °C/10 mmHg (lit.)
比重(密度): 0.975 g/mL · 0.975 g/mL at 25 °C (lit.)
蒸気圧: 3.45 hPa · 3.45hPa at 25℃
FEMA: 2732 · 2732 | BETA-METHYLPHENETHYL ALCOHOL
屈折率: 20 · n20/D 1.526(lit.)
闪点: 201 °F · 201 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): 14.79 · 14.79±0.10(Predicted)
比重: 1.015 · 1.015
色: Colorless to Almost colorless
臭い (Odor): 100 %で。グリーン · 100.00%で。グリーンスパイシーヒヤシンスバルサムライラックスイカズラ
においのタイプ: バルサミコ
由来生物: synthetic
水溶解度: 不溶性
JECFA Number: 1459 · 1459
BRN: 1906760 · 1906760
主な用途: フレーバーそして香料
化粧品成分の機能: 香料
InChI: 1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey: RNDNSYIPLPAXAZ-UHFFFAOYSA-N
SMILES: CC(CO)c1ccccc1
LogP: 1.8 at · 1.8 at 20℃
CAS データベース: 1123 · 1123-85-9(CAS DataBase Reference)
NISTの化学物質情報: Benzeneethanol, «beta»-methyl-(1123-85-9)
EPAの化学物質情報: Benzeneethanol, .beta.-methyl- (1123-85-9)

化学的性質

化学的特性CLEAR LIQUID

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 93.1% (268 of 288) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 268 of 288 companies (only 6.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 268 of 288 reports by companies.；There are 4 notifications provided by 20 of 288 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: Benzeneethanol, .beta.-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 09-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30222

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 · 1 件

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

法規制情報

Regulatory Information · 4 件

Chemical: Benzeneethanol, .beta.-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 09-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30222

Benzeneethanol, .beta.-methyl-: Does not have an individual approval but may be used under an appropriate group standard

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
safety_code: 23-24/25-36
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular

用途と製造

UsesUsed as a flavoring agent; [FDA]

Use Classification · 4 件

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 · 4 件

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.