10-Undecenal (HCID 8187)

概要

10-undecenal is an undecenal in which the C=C bond is at the 10-11 position.

名称と識別子

優先名称: 10-Undecenal
IUPAC: undec-10-enal
現地名: 10-ウンデセナール
英語名: 10-Undecenal
分子式: C11H20O
分子量: 168.28

名称と別名

10-UndecenalUndec-10-enal112-45-8Undecylenic aldehydeHendecenalUndecylenaldehyde1-Undecen-10-al10-Undecylenealdehyde10-HendecenalC-11 aldehyde, undecylenicundecylenalAldehyde C-11, undecylenic

名称をさらに表示

10-ウンデセナール10-ウンデセン-1-アール10-ウンデシレンアルデヒド10-ウンデセニルアルデヒドヘンデセナール10-ウンデセン-1-オンウンデシレン酸アルデヒドウンデシレンアルデヒドウンデセナール10-ウンデセナ?ルウンデカ-10-エナール9-デセン-1-カルボアルデヒドINTRELEVEN ALDEHYDE10-UNDECENYL ALDEHYDEFEMA 23639-UNDECENAL10-UNDECEN-1-ALintreleven aldehyde (IFF)ALDEHYDE C11 ENIC/UNDECYLENIC ALDEHYDE

FEMA No. 3095EINECS 203-973-1NSC 44900BRN 1746480DU1OTA08RYAldehyde C-11 undecylenicAI3-03940NSC-44900

データベース識別子

CAS: 112-45-8
PubChem CID: 8187
DTXSID: DTXSID3037757
ChEMBL: CHEMBL3185269
ChEBI: CHEBI:125536
UNII: DU1OTA08RY
EC Number: 203-973-1
Nikkaji: J61.751B

物性

構造計算による物性

XLogP: 3.8
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: 9
重原子数: 12
形式電荷: 0
複雑度: 108

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]

SpringerMaterials PropertiesOptical coefficient

FragrancesFragrance Ingredient (10-Undecenal) -> IFRA transparency List

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

Density0.840-0.850

Flavoring AgentsEU Flavoring substances

物理化学的性質

融点: 7 °C · 7°C
沸点: 98 · 98-100 °C3 mm Hg(lit.)
比重(密度): 0.84 g/mL · 0.84 g/mL at 25 °C(lit.)
蒸気密度: 1 · >1 (vs air)
蒸気圧: 8.7 Pa · 8.7Pa at 25℃
FEMA: 3095 · 3095 | 10-UNDECENAL
屈折率: 20 · n20/D 1.4427(lit.)
闪点: 199 °F · 199 °F
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（少量）、酢酸エチル（少量）
酸解離定数(Pka): 0 · 0[at 20 ℃]
外見: 結晶または結晶性粉末
色: 白い
比重: 0.84 · 0.84
臭い (Odor): 1 %。ワックス状アルデヒド · ジプロピレングリコール中1.00%。ワックス状アルデヒドローズマンダリンシトラス石鹸状脂肪質
においのタイプ: アルデヒド系
由来生物: synthetic
水溶解度: 不溶性
JECFA Number: 330 · 330
主な用途: フレーバーそして香料
化粧品成分の機能: 香料香料
InChI: 1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
InChIKey: OFHHDSQXFXLTKC-UHFFFAOYSA-N
SMILES: [H]C(=O)CCCCCCCCC=C
LogP: 4.672 at · 4.672 at 25℃
CAS データベース: 112 · 112-45-8(CAS DataBase Reference)
NISTの化学物質情報: 10 · 10-Undecenal(112-45-8)
EPAの化学物質情報: 10 · 10-Undecenal (112-45-8)

化学的性質 · 1 件

化学的特性10-Undecenal was identified, for example, in coriander leaf extract. It is a colorless liquid with a fatty, green, slightly metallic, heavy, floral odor. The aldehyde can be synthesized from undecylenic acid, for example, by hydrogenation of the acid chloride (Rosenmund reduction) or by reaction with formic acid in the vapor phase in the presence of titanium dioxide. In perfumery, 10-undecenal is one of the aldehydes essential for creating the “aldehydic note.” Mixtures containing undecenals with the double bond in other positions (9-, 8-, 7-) are also marketed and used in fragrances, for example, Aldehyde C11 Iso (Givaudan), Intreleven aldehyde (IFF).

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (97.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1818 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H227: Combustible liquid [Warning Flammable liquids]

危険有害性情報

Regulatory Information · 5 件

Chemical: 10-Undecenal

Regulation (EC) No 1831/2003 (amended)

10-Undecenal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 10-Undecenal 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: 28-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12737

10-Undecenal: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (97.2%)

Flammable liquids - Category 4

安全データ

wgk: 2
tsca: TSCA listed
rtecs: YQ2835000
ridadr: NA1993
毒性: rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 11, Pg. 479, 1973.
hs_code: 29121900
risk_code: 38-10
化審法: (2)-2464
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 24/25-37/39-26
hazard_class: CBL
Hazard Classifications: Aquatic Chronic 3Skin Irrit. 2Skin Sens. 1B
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

U.S. Production2023: 8,500,000 - <10,000,000 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 30 consumer products that contain Undecylenal in the following categories is provided:

Use Classification · 5 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

10-Undecenal: ACTIVE

応用分野 · 4 件

用途シトラス系香料として多くの化粧品香料,食品香料に用いられる。

用途有機合成(和光試薬時報Vol.63 No.4,p.26(1995))。

天然物の起源Reported found in coriander leaf (Coriandrum sativum L.).

使用10-Undecylenic Aldehyde is derived from the reduction of Undecylenic Acid (U788820) which is used for the manufacture of pharmaceuticals, cosmetics and perfumery, including antidandruff shampoos, antimicrobial powders and as a musk in perfumes and aromas.

調製方法 · 1 件

製造方法By oxidation of the corresponding alcohol or reduction of the corresponding acid; by passing vapors of formic acid and undecylenic acid over TiO2 at 250°C under pressure; by passing vapors of undecylenic acid and methanol over a manganese dioxidebased catalyst; or by reduction of ethyl undecylenate with lithium hydride and sodium in tetrahydrofuran solution at very low temperature (–50°C).

上流・下流製品情報

上流原料

ヘプタナールノネン酸 Eleven ene chloride ノナン酸 10-ウンデセン酸

下流製品

10-ウンデセン-1-オール cis-11-ヘキサデセナール 11-ヘキサデシン-1-オール 10-ウンデセン酸メチル 1,13-Tetradecadien-4-ol

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]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

10-ウンデセナール

基本情報

概要