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8-メチルノナナール

Isodecylaldehyde

HCID 14862
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
1321-89-7
標準SMILES
CC(C)CCCCCCC=O
InChIKey
WDMOXLRWVGEXJV-UHFFFAOYSA-N
分子式
C10H20O
平均分子量
156.26 g/mol
単同位体質量
156.15141526

概要

Isodecaldehyde is a colorless liquid with a fruity odor. Floats on water. (USCG, 1999)

名称と識別子

優先名称
Isodecylaldehyde
IUPAC
8-methylnonanal
現地名
8-メチルノナナール
英語名
8-Methylnonanal
分子式
C10H20O
分子量
156.27

名称と別名

8-MethylnonanalIsodecanal1321-89-7ISODECYLALDEHYDEIsoaldehyde C-10IsodecaldehydeEINECS 215-328-1FEMA 2390HSDB 1988CA4031G8P7ISODECYLALDEHYDE [HSDB]FEMA NO. 4803
名称をさらに表示
8-メチルノナナールイソデカアルデヒドNonanal, 8-methyl-8-methylnonan-1-al
DTXSID701023804Isoaldehyde C10TRIMETHYLHEPTANALSRefChem:791851Isodecanal, IsodecaldehydeDTXCID3034086DTXSID0061668DTXCID701508121

データベース識別子

CAS
1321-89-7、3085-26-5
PubChem CID
14862
DTXSID
DTXSID701023804
UNII
CA4031G8P7
EC Number
193-570-6、215-328-1
Nikkaji
J42.481A

物性

構造計算による物性

XLogP
3.5
極性表面積
17.1 Ų
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
7
重原子数
11
形式電荷
0
複雑度
86.9

実験および物理化学的性質

Chemical ClassesOther Classes -> Aldehydes
OdorPOWERFUL, SWEET ODOR OF FRUIT
TasteSOMEWHAT GREEN FLAVOR
Density · 4 件

0.84 at 59 °F (est.) (USCG, 1999) - Less dense than water; will float

0.8290 /mixed isomers/

DENSITY: 0.8253 @ 20 °C /D-FORM/

0.8227 - 0.8231 (20 °C)

Color/FormCOLORLESS LIQUID
Solubility · 4 件

INSOL IN WATER

SOL IN ALCOHOL

very slightly soluble

Soluble (in ethanol)

Flash Point185 °F (USCG, 1999)
Boiling Point · 3 件

197 °C

BP: 82-84 °C @ 15 MM HG /DL-FORM/

196-197 °C

Vapor Density5.4
Vapor Pressure · 2 件

1.55 mmHg (USCG, 1999)

0.29 [mmHg]

Refractive Index · 2 件

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Regulatory InformationChemical: Isodecanal
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Health HazardsLow general toxicity. Liquid may irritate eyes and skin. (USCG, 1999)
Hazards SummaryA strong irritant of the skin and respiratory tract; [HSDB]
FDA Requirements · 1 件

2,6-Dimethyl octanal is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.

Reactive GroupAldehydes
Reactivity Profile · 1 件

ISODECALDEHYDE is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

化学と産業

薬理情報

Metabolism/Metabolites · 2 件

Aldehydes are readily oxidized to organic acids, which, in turn, can serve as substrates for fatty acid oxidation pathways and the Krebs cycle. ... Oxidation of aldehydes is catalyzed by aldehyde dehydrogenase, which has been found in the brain, erythrocytes, liver, kidney, heart, and placenta. /Aldehydes/

... The detoxification of aldehydes can be seen to proceed basically via two routes: (1) an oxidation to yield readily metabolized acids; (2) inactivation by reaction with sulfhydryl groups, particularly glutathione. Under conditions that either deplete glutathione levels, or that result in an inhibition of aldehyde dehydrogenase (for example, Antabuse treatment), the acute and chronic effects of aldehyde toxicity might be more fully expressed. /Aldehydes/

用途と製造

Uses · 4 件

Used as a flavor and to make pharmaceuticals, dyes, resins, and isodecanol; [HSDB]

SYNTHETIC FLAVOR

INTERMEDIATE FOR PHARMACEUTICALS, DYES, RESINS /MIXED ISOMERS/

FLAVOR INGREDIENT IN FOOD & BEVERAGES; CHEM INT (UNISOLATED) FOR ISODECANOL

U.S. Exports(1975) No Data
Methods of Manufacturing · 3 件

PASSAGE OF PROPYLENE TRIMER (NONENE) VAPORS OVER COBALT CATALYST IN PRESENCE OF CARBON MONOXIDE & HYDROGEN

D-ISOMER IS PREPARED BY HEATING D-DIHYDROCITRONELLOL & ISOPROPYL ALUMINATE @ 70-100 °C, 14 MM HG &...ADDING CINNAMALDEHYDE @ 140-160 °C; OR BY HYDROGENATION OF CITRONELLAL WITH PALLADIUM OR STRONTIUM CARBONATE IN METHANOL UNDER PRESSURE (3 ATM). /D-FORM/

DL-FORM IS PREPARED BY HYDROGENATION OF CITRAL IN ETHANOL UNDER PRESSURE IN THE PRESENCE OF PALLADIUM & STRONTIUM CARBONATE OR OF PALLADIUM & CALCIUM CARBONATE. /DL-FORM/

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

INDEX OF REFRACTION: 1.4257 @ 20 °C/D; 1.4285 @ 17 °C/D /D-FORM/

1.4256 - 1.4260

Physical Description · 3 件

Isodecaldehyde is a colorless liquid with a fruity odor. Floats on water. (USCG, 1999)

Colorless liquid with a sweet fruity odor; [HSDB]

Colorless, transparent liquid/Sweet aroma of fruit with green notes

物理化学的性質

沸点
203.5 · 203.5±8.0 °C(Predicted)
比重(密度)
0.816 · 0.816±0.06 g/cm3(Predicted)
FEMA
4803 · 4803 | 8-METHYLNONANAL
貯蔵温度
Hygroscopic, Refrigerator, under inert atmosphere
溶解性
クロロホルム(微量)、DMSO(微量)、メタノール(微量)
外見
油
色
無色透明
臭い (Odor)
1 %。シトラス · ジプロピレングリコール中1.00%。シトラス フローラル グリーン ワックス状 ミルキー
においのタイプ
柑橘類
JECFA Number
2239 · 2239
EPAの化学物質情報
8 · Nonanal, 8-methyl- (3085-26-5)

化学的性質

化学的特性Liquid. Insoluble in water. Combustible.

Skin, Eye, and Respiratory Irritations
The low molecular weight aldehydes, the halogenated aliphatic aldehydes, and the unsaturated aldehydes are particularly irritating. /Aldehydes/

安全と保護具

Fire FightingFire Extinguishing Agents: Foam, dry chemical, carbon dioxide (USCG, 1999)
First AidWash eyes and skin with plenty of water for at least 15 min. (USCG, 1999)
Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Personal Protective Equipment (PPE)Protective clothing; chemical goggles. (USCG, 1999)

毒性情報

Human Toxicity Excerpts · 2 件

PROBABLY TOXIC; STRONG IRRITANT. /MIXED ISOMERS/

The mucus membranes of the nasal and oral passages and the upper respiratory tract are affected, producing a burning sensation ... bronchial constriction, choking, and coughing. The eyes tear, and a burning sensation is noted on the skin of the face. /Aldehydes/

法規制情報

FDA Requirements · 1 件

2,6-Dimethyl octanal is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.

General Manufacturing Information · 2 件

Isodecanal: INACTIVE

REPORTED USES: NON-ALCOHOLIC BEVERAGES 0.44 PPM; ICE CREAM, ICES, ETC 3.2 PPM; CANDY 1.9 PPM; BAKED GOODS 1.9 PPM.

応用分野

使用A flavor compound from orange essence oil.

一般的な説明Colorless liquid with a fruity odor. Floats on water.

サプライヤー3 社

爱必信(上海)生物科技有限公司021-38015121-8802 · [email protected]
Chemical sources Association Inc—
Aston Chemical[email protected]

補足説明

定義Mixed isomers.