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8-메틸노나날

Isodecylaldehyde

HCID 14862
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1321-89-7
표준 SMILES
CC(C)CCCCCCC=O
InChIKey
WDMOXLRWVGEXJV-UHFFFAOYSA-N
분자식
C10H20O
평균 분자량
156.26 g/mol
단동위원소 질량
156.15141526

개요

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

이름 및 식별자

우선 이름
Isodecylaldehyde
IUPAC
8-methylnonanal
현지명
8-메틸노나날
영어명
8-Methylnonanal
분자식
C10H20O
분자량
156.27

이름 및 동의어

8-MethylnonanalIsodecanal1321-89-7ISODECYLALDEHYDEIsoaldehyde C-10IsodecaldehydeEINECS 215-328-1FEMA 2390HSDB 1988CA4031G8P7ISODECYLALDEHYDE [HSDB]FEMA NO. 4803
이름 더 보기
8-메틸노나날Nonanal, 8-methyl-8-methylnonan-1-al
DTXSID701023804Isoaldehyde C10TRIMETHYLHEPTANALSRefChem:791851Isodecanal, IsodecaldehydeDTXCID3034086DTXSID0061668DTXCID701508121

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.5
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
7
무거운 원자 수
11
형식 전하
0
복잡도
86.9

실험 및 물리화학적 성질

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

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 · 4건

INSOL IN WATER

SOL IN ALCOHOL

very slightly soluble

Soluble (in ethanol)

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

197 °C

BP: 82-84 °C @ 15 MM HG /DL-FORM/

196-197 °C

Vapor Density5.4
Vapor Pressure · 2건

1.55 mmHg (USCG, 1999)

0.29 [mmHg]

Refractive Index

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

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 · 1건

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 · 1건

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.

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

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/

용도 및 제조

Uses · 4건

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 · 3건

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 · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
· 2건

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

1.4256 - 1.4260

Physical Description · 3건

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

물리화학적 성질

끓는 점
203.5 · 203.5±8.0 °C(Predicted)
밀도
0.816 · 0.816±0.06 g/cm3(Predicted)
FEMA
4803 · 4803 | 8-METHYLNONANAL
저장 조건
Hygroscopic, Refrigerator, under inert atmosphere
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
기름
색상
투명 무색
냄새
1 % · 디프로필렌 글리콜 중 1.00%. 감귤류의 꽃무늬 녹색 밀키한 밀키
냄새 유형
감귤류
JECFA Number
2239 · 2239
EPA
8 · Nonanal, 8-methyl- (3085-26-5)

화학적 성질

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/

안전 및 보호

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 · 1건

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)

독성 정보

Human Toxicity Excerpts · 2건

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/

규제 정보

FDA Requirements · 1건

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 · 2건

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.

응용 분야

용도A flavor compound from orange essence oil.

일반 설명Colorless liquid with a fruity odor. Floats on water.

공급사3 곳

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]

추가 설명

정의Mixed isomers.