フェニル酢酸ベンジル

Benzyl phenylacetate

HCID 60999

基本情報

CAS
102-16-9
標準SMILES
O=C(Cc1ccccc1)OCc1ccccc1
InChIKey
MIYFJEKZLFWKLZ-UHFFFAOYSA-N
分子式
C15H14O2
平均分子量
226.27 g/mol
単同位体質量
226.09937969

名称と識別子

優先名称
Benzyl phenylacetate
IUPAC
benzyl 2-phenylacetate
現地名
フェニル酢酸ベンジル
英語名
BENZYL PHENYLACETATE
分子式
C15H14O2
分子量
226.27

名称と別名

Benzyl phenylacetate102-16-9BENZENEACETIC ACID, PHENYLMETHYL ESTERBenzyl benzeneacetateBenzyl alpha-toluateAcetic acid, phenyl-, benzyl esterFEMA No. 2149A7LDA0CIWFDTXSID6024597EINECS 203-008-4Phenylacetic acid, benzyl esterAI3-02943
名称をさらに表示
フェニル酢酸ベンジルジフェニルメタノールアセタート酢酸ジフェニルメチルベンゼン酢酸ベンジル酢酸ベンズヒドリル2-フェニル酢酸ベンジルα-フェニルベンジルアルコールアセタート酢酸α-フェニルベンジルベンジル=フェニルアセタートベンズヒドロールアセタートα-フェニルベンジル=アセタートベンジルフェニルアセテートベンジル 2-フェニルアセタートFEMA 2149Benzyl α-toluateBenzylphenylacetatBenzhydrol acetateBenzhydryl acetatebenzyl2-phenylacetateBenzyl Phenyllacetate
DTXCID904597PHENYLMETHYL PHENYLACETATEBENZYL PHENYLACETATE [FCC]BENZYL PHENYLACETATE [FHFI]PHENYL METHYL BENZENE ACETATERefChem:566845203-008-4benzyl 2-phenylacetate

データベース識別子

CAS
102-16-9
PubChem CID
60999
DTXSID
DTXSID6024597
ChEMBL
CHEMBL1303827
ChEBI
CHEBI:174169
UNII
A7LDA0CIWF
EC Number
203-008-4
Nikkaji
J47.215H

物性

構造計算による物性

XLogP
3.2
極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
5
重原子数
17

実験および物理化学的性質

Density · 2 件

1.1 (NTP, 1992) - Denser than water; will sink

1.094-1.100

Solubility · 3 件

less than 1 mg/mL at 68 °F (NTP, 1992)

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Flash Pointgreater than 200 °F (NTP, 1992)
Boiling Point · 2 件

318.00 to 320.00 °C. @ 760.00 mm Hg

320 °C

Refractive Index1.552-1.560
Physical Description · 2 件

Benzyl phenylacetate is a clear colorless liquid with a honey-like odor. (NTP, 1992)

colourless liquid with a sweet, honey-floral odour

物理化学的性質

融点
51 · 51-52 °C
沸点
317 · 317-319 °C(lit.)
比重(密度)
1.097 g/mL · 1.097 g/mL at 25 °C(lit.)
蒸気圧
0.015 Pa · 0.015Pa at 25℃
屈折率
20 · n20/D 1.555(lit.)
FEMA
2149 · 2149 | BENZYL PHENYLACETATE

化学的性質

化学的特性Benzyl phenylacetate has a sweet, floral (jasmine-rose) odor and a slight honey-like taste.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 97.6% (1636 of 1676) of all reports.

Not Classified;Reported as not meeting GHS hazard criteria by 1636 of 1676 companies (only 2.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 1676 reports by companies from 5 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 1636 of 1676 reports by companies.;There are 3 notifications provided by 40 of 1676 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: Benzeneacetic acid, phenylmethyl ester

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

Status: Active Update: 05-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17618

Benzeneacetic acid, phenylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzeneacetic acid, phenylmethyl ester: Human health tier I assessment
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile · 1 件

BENZYL PHENYLACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This chemical is sensitive to excessive light and heat. (NTP, 1992)

Air and Water ReactionsInsoluble in water.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. (NTP, 1992)

Personal Protective Equipment (PPE) · 1 件

MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.;RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

法規制情報

Regulatory Information · 4 件

Chemical: Benzeneacetic acid, phenylmethyl ester

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

Status: Active Update: 05-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17618

Benzeneacetic acid, phenylmethyl ester: 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
ridadr
UN 3082 9 / PGIII
毒性
The acute oral LD50 was reported as > 5000 mg/kg in the rat. The acute dermal LD50 was reported as > 10 ml/kg in the rabbit
hs_code
29163990
risk_code
50/53

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Household ProductsInformation on 1 consumer products that contain Benzyl Phenylacetate in the following categories is provided:;• Inside the Home
Use Classification · 4 件

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzeneacetic acid, phenylmethyl ester: ACTIVE
応用分野 · 3 件

天然物の起源Not reported found in nature; phenylacetic acid, on the other hand, has been reported in several essential oils.

使用Perfumery and flavors.

一般的な説明Clear colorless liquid with a honey-like odor.

調製方法

製造方法By direct esterification of benzyl alcohol with phenylacetic acid.

上流・下流製品情報

上流原料

下流製品

サプライヤー100 社

常州帝通化工有限公司+86-0519-88298848 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

関連反応

18 件

化合物ノート

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