2-sec-Butyl cyclohexanone (HCID 61771)

名称と識別子

優先名称: 2-sec-Butyl cyclohexanone
IUPAC: 2-butan-2-ylcyclohexan-1-one
現地名: 2-sec-ブチルシクロヘキサノン
英語名: 2-sec-Butylcyclohexanone
分子式: C10H18O
分子量: 154.25

名称と別名

2-sec-Butylcyclohexanone14765-30-12-(sec-Butyl)cyclohexanone2-(1-Methylpropyl)cyclohexanone2-sec-Butylcyclohexan-1-oneCyclohexanone, 2-(1-methylpropyl)-Cyclohexanone, 2-sec-butyl-2-sec-butyl cyclohexanoneFreskomenthe2-(butan-2-yl)cyclohexan-1-oneFEMA No. 3261Butylcyclohexanone, O-sec-

名称をさらに表示

2-sec-ブチルシクロヘキサノン2-(1-メチルプロピル)シクロヘキサノン2-sec-ブチルシクロヘキサノン (異性体混合物)2-(SEC-ブチル)シクロヘキサノン2-sec-ブチルシクロヘキサノン, 99%FEMA 3261FRESCOMENTHE2-CYCLOHEXANONEFreskomenthe 52027032-sec-butyl-cyclohexanonO-SEC-BUTYLCYCLOHEXANONEpeppermint cyclohexanone2-sec-Butylcyclohexan-1-on

DTXSID4041818EINECS 238-830-25WA6R1KL5JNSC 21146BRN 1859137NSC-21146DTXCID20218182-SEC-BUTYL CYCLOHEXANONE, DL-

データベース識別子

CAS: 14765-30-1
PubChem CID: 61771
DTXSID: DTXSID4041818
UNII: 5WA6R1KL5J
EC Number: 238-830-2
Nikkaji: J227.181H

物性

構造計算による物性

XLogP: 2.8
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 140

実験および物理化学的性質

FragrancesFragrance Ingredient (2-sec-Butylcyclohexanone) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.911-0.917

Flavoring AgentsEU Flavoring substances

Solubility · 3 件

566 mg/L @ 20 °C (exp)

insoluble in water; miscible with most oils

Miscible at room temperature (in ethanol)

Boiling Point · 2 件

76.00 to 78.00 °C. @ 8.00 mm Hg

76-78 °C

物理化学的性質

融点: 27.18 °C · 27.18°C (estimate)
沸点: 76 · 76-78 °C8 mm Hg(lit.)
比重(密度): 0.912 g/mL · 0.912 g/mL at 25 °C(lit.)
蒸気圧: 5.52 hPa · 5.52hPa at 20℃
FEMA: 3261 · 3261 | 2-SEC-BUTYLCYCLOHEXANONE
屈折率: 20 · n20/D 1.458(lit.)
闪点: 181 °F · 181 °F
外見: clear liquid
色: Colorless to Light yellow to Light orange
臭い (Odor): 100 %で。フレッシュミント · 100.00%で。フレッシュミントペパーミントウッディカンファー
においのタイプ: メンソリック
水溶解度: 577 mg/L · 577mg/L at 20℃
JECFA Number: 1109 · 1109
BRN: 1859137 · 1859137
化粧品成分の機能: 香料
LogP: 3.2 at · 3.2 at 35℃
EPAの化学物質情報: 2 · Cyclohexanone, 2-(1-methylpropyl)- (14765-30-1)

化学的性質

化学的特性2-sec-Butylcyclohexanone has a woody, camphoraceous, somewhat musty odor.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 96% (1531 of 1595) of all reports.

Not Classified

Aggregated GHS information provided per 1595 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 5 件

Chemical: Cyclohexanone, 2-(1-methylpropyl)-

Regulation (EC) No 1334/2008 (amended)

Cyclohexanone, 2-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 2-(1-methylpropyl)- 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: 28-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/22256

2-sec-butylcyclohexan-1-one: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

安全データ

wgk: 2
tsca: TSCA listed
rtecs: GW1804000
毒性: rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 11S, 1992.
hs_code: 29142990
化審法: (3)-2411
消防法: 危-4-3-III
safety_code: 24/25

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

U.S. Production2023: 8,519,952 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 16 consumer products that contain 2-sec-Butylcyclohexan-1-one in the following categories is provided:

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 Information · 2 件

All Other Chemical Product and Preparation Manufacturing

Cyclohexanone, 2-(1-methylpropyl)-: ACTIVE

調製方法

製造方法By hydrogenation of o-sec-butyl phenol in the presence of palladium catalyst; by hydrogenation of 2-sec-butylidene cyclohexanone.

サプライヤー50 社

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

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

2-sec-ブチルシクロヘキサノン

基本情報