3-メチル安息香酸エチル

Ethyl m-toluate

HCID 67117
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基本情報

CAS
120-33-2
標準SMILES
CCOC(=O)c1cccc(C)c1
InChIKey
WSJNYOVBJSOQST-UHFFFAOYSA-N
分子式
C10H12O2
平均分子量
164.2 g/mol
単同位体質量
164.08372962

名称と識別子

優先名称
Ethyl m-toluate
IUPAC
ethyl 3-methylbenzoate
現地名
3-メチル安息香酸エチル
英語名
Ethyl 3-methylbenzoate
分子式
C10H12O2
分子量
164.2

名称と別名

Ethyl 3-methylbenzoateEthyl m-toluateBenzoic acid, 3-methyl-, ethyl esterAI3-30145DTXSID70152641EINECS 204-386-3NSC 20009RefChem:596254DTXCID2075132204-386-3120-33-2Ethyl m-methylbenzoate
名称をさらに表示
3-メチル安息香酸エチルm-トルイル酸エチルエチル 3-メチルベンゾアートEhylEthyl m<ETHYL 3-TOLUATERARECHEM AL BI 0073Ethyl m-toluate 99%metamethyl benzoateEthyl m-toluate, 98+%
3-Methylbenzoic acid ethyl ester3-Methyl-benzoic acid ethyl esterEthyl-3-methylbenzoateH3AK4M7DH5MFCD00009114Ethyl m-toluate, 99%m-Toluic acid, ethyl esterSCHEMBL570920

データベース識別子

CAS
120-33-2
PubChem CID
67117
DTXSID
DTXSID70152641
UNII
H3AK4M7DH5
EC Number
204-386-3
Nikkaji
J136.974A

物性

構造計算による物性

XLogP
3.1
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
3
重原子数
12

実験および物理化学的性質

Kovats Retention Index · 2 件

1246

1294.2

物理化学的性質

沸点
110 °C · 110 °C (20 mmHg)
比重(密度)
1.03 g/mL · 1.03 g/mL at 25 °C(lit.)
屈折率
1.5055 · 1.5055-1.5075
闪点
101 °C · 101 °C
貯蔵温度
Store at room temperature
外見
liquid

化学的性質

化学的特性clear colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 · 2 件

Chemical: Benzoic acid, 3-methyl-, ethyl ester

Benzoic acid, 3-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

法規制情報

Regulatory Information · 2 件

Chemical: Benzoic acid, 3-methyl-, ethyl ester

Benzoic acid, 3-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-36-26
ストレージクラス
10 - Combustible liquids

化学と産業

応用分野

使用Ethyl m-toluate may be used in chemical synthesis.

上流・下流製品情報

サプライヤー100 社

常州帝通化工有限公司+86-0519-88298848 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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