CAS 39255-32-8 Ethyl 2-methylpentanoate (HCID 62902)

名称と識別子

優先名称: Ethyl 2-methylpentanoate
IUPAC: ethyl 2-methylpentanoate
現地名: 2-メチルペンタン酸エチル
英語名: Ethyl 2-methylpentanoate
分子式: C8H16O2
分子量: 144.21

名称と別名

Ethyl 2-methylpentanoate39255-32-8Ethyl 2-methylvaleratePentanoic acid, 2-methyl-, ethyl esterMelon valerateEthyl alpha-methylvalerateFEMA No. 3488Ethyl .alpha.-methylvalerateDTXSID7047198EINECS 254-384-1405SN8638DAI3-33618

名称をさらに表示

2-メチル吉草酸エチル2-メチルペンタン酸エチルエチル 2メチルバレレ-トエチル＝2-メチルペンタノアート2-メチルペンタノン酸エチル2-メチルペンタノン酸エチル, 98%2-methyl-pentanoicaciethylesterETHYL 2-METHYL PENTANOATE (MANZANATE)MANZANATEFEMA 3488FEMA NUMBER 3488MANZANATE, QUESTRARECHEM AL BI 0135manzanate (Givaudan)

EC 254-384-1DTXCID5027198HZPKNSYIDSNZKW-UHFFFAOYSA-ETHYL 2-METHYLPENTANOATE [FCC]ETHYL 2-METHYLPENTANOATE [FHFI]RefChem:594483(+-)-ETHYL 2-METHYLPENTANOATEETHYL 2-METHYLPENTANOATE, (+-)-

データベース識別子

CAS: 39255-32-8
PubChem CID: 62902
DTXSID: DTXSID7047198
ChEMBL: CHEMBL3186172
ChEBI: CHEBI:179947
UNII: 405SN8638D
EC Number: 254-384-1
Nikkaji: J101.336J

物性

構造計算による物性

XLogP: 2.4
極性表面積: 26.3 Å²
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: 10
形式電荷: 0
複雑度: 99

実験および物理化学的性質

Density0.859-0.865

Solubility(in ethanol)

Boiling Point153 °C

Refractive Index1.401-1.404

Physical Description · 2 件

CBI; Dry Powder; Liquid; Liquid

colourless to pale yellow liquid

Kovats Retention Index · 3 件

923；937；917；917；917；919.4

936；941；940；941

1152；1141；1141

物理化学的性質

沸点: 153 · 153-152 °C (lit.)
比重(密度): 0.864 g/mL · 0.864 g/mL at 25 °C (lit.)
蒸気圧: 7.56 hPa · 7.56hPa at 20℃
屈折率: 20 · n20/D 1.403(lit.)
FEMA: 3488 · 3488 | ETHYL 2-METHYLPENTANOATE
闪点: 103 °F · 103 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: Liquid
比重: 0.864 · 0.864
色: Colorless to Almost colorless
臭い (Odor): 10 %。新鮮なフルーティーなグリーンメロン、リンゴの皮、パイナップル、天然ワックス状 · ジプロピレングリコール中10.00%。新鮮なフルーティーなグリーンメロン、リンゴの皮、パイナップル、天然ワックス状
においのタイプ: 緑
由来生物: synthetic
水溶解度: 467 mg/L · 467mg/L at 20℃
JECFA Number: 214 · 214
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/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
InChIKey: HZPKNSYIDSNZKW-UHFFFAOYSA-N
SMILES: CCCC(C)C(=O)OCC
LogP: 2.09 at · 2.09 at 20℃
CAS データベース: 39255 · 39255-32-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · Pentanoic acid, 2-methyl-, ethyl ester(39255-32-8)
EPAの化学物質情報: 2 · Pentanoic acid, 2-methyl-, ethyl ester (39255-32-8)

化学的性質

化学的特性Ethyl 2-Methylpentanoate is a colorless liquid with a fruity apple odor. It is used to create fruity top notes in perfumes for many purposes, for example, for shampoos, fabric conditioners, detergents, air fresheners, and soaps.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1861 reports by companies from 4 notifications to the ECHA C&L Inventory.；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: Pentanoic acid, 2-methyl-, ethyl ester

Pentanoic acid, 2-methyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 2-methyl-, ethyl ester 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: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10528

Pentanoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (> 99.9%)

法規制情報

Regulatory Information · 4 件

Chemical: Pentanoic acid, 2-methyl-, ethyl ester

Pentanoic acid, 2-methyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 2-methyl-, ethyl ester 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: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10528

Pentanoic acid, 2-methyl-, ethyl 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 3272 3/PG 3
hs_code: 29189900
risk_code: 10
化審法: (2)-782
消防法: 危-4-2-III
safety_code: 16
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsExtracellular；Membrane

用途と製造

U.S. Production2023: 8,500,000 - <10,000,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb

Consumer UsesOther；Fragrance

Industry UsesFragrance；Stabilizing agent

Household ProductsInformation on 67 consumer products that contain Ethyl 2-Methylvalerate in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home；• Personal Care

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing；All Other Chemical Product and Preparation Manufacturing；Plastics Material and Resin Manufacturing

Pentanoic acid, 2-methyl-, ethyl ester: ACTIVE

応用分野

用途有機合成原料。

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

巨野众悦香料有限公司0530-8599699 13701896116 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

化合物ノート

読み込み中…

2-メチルペンタン酸エチル

基本情報