데카논(2-)

2-Decanone

HCID 12741CAS 693-54-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCCCC(C)=O
InChIKey
ZAJNGDIORYACQU-UHFFFAOYSA-N
분자식
C10H20O
평균 분자량
156.26 g/mol
단동위원소 질량
156.15141526

개요

Decan-2-one is a methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite. It derives from a hydride of a decane.

이름 및 식별자

우선 이름
2-Decanone
IUPAC
decan-2-one
현지명
데카논(2-)
영어명
2-Decanone
분자식
C10H20O
분자량
156.27

이름 및 동의어

2-DecanoneDecan-2-oneDTXSID9022104UNII-GX543OLT0RGX543OLT0REINECS 211-752-6BRN 1747463CHEBI:779292-DECANONE [FHFI]DTXCID002104FEMA NO. 42714-01-00-03367 (Beilstein Handbook Reference)
이름 더 보기
2-데칸온데카논(2-)2-데칸온(2-DECANONE)2-데카논DECANONE463582-Decanonecan-2-one2-Oxodecane2-decanone+A8
Methyl noctyl ketoneRefChem:86659ZAJNGDIORYACQU-UHFFFAOYSA-N693-54-9METHYL OCTYL KETONEMethyl n-octyl ketoneOctyl methyl ketonen-C8H17COCH3

데이터베이스 식별자

CAS
693-54-9
PubChem CID
12741
DTXSID
DTXSID9022104
ChEMBL
CHEMBL47127
ChEBI
CHEBI:77929
UNII
GX543OLT0R
EC Number
211-752-6
Nikkaji
J79.790A

물성

구조 계산 물성

XLogP
3.7
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
7
무거운 원자 수
11

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Decanone) -> IFRA transparency List
LogP · 2건

3.73

3.78

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

물리화학적 성질

녹는점
3.5 °C · 3.5 °C (lit.)
끓는 점
211 °C · 211 °C (lit.)
밀도
0.825 g/mL · 0.825 g/mL at 25 °C (lit.)
증기 밀도
1 · >1 (vs air)
굴절률
20 · n20/D 1.425(lit.)
FEMA
4271 · 4271 | 2-DECANONE

화학적 성질

CLEAR SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 11.2% (163 of 1451) of reports.

H411 (88.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1451 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Decanone

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Hazard Classes and CategoriesAquatic Chronic 2 (88.8%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
HE0725000
ridadr
NA 1993 / PGIII
독성
LD50 orl-mus: 7936 mg/kg TOLED5 30,13,86
HS 번호
29141990

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Decanone: ACTIVE
응용 분야 · 3건

출처Reported found in rue oil China (1.31%), rue flower oil Colombia (1.25%), rue oil Cuba (0.72%), ambrette seed oil (0.10%), Croton flavens L. (Welensali) leaf oil Curacao (0.10%), cascarilla bark oil (0.06%) and violet flower absolute.

용도2-Decanone was used in the synthesis of brushed block copolymers via conjugation through an acid-labile hydrazone linker to poly(ethylene glycol)-poly(aspartate hydrazide) block copolymers; methyl ketones. 2-decanone is used as a solvent and an intermediate in synthesising pharmaceuticals and agrochemicals. 2-Decanone has very interesting effects, along with Oakmoss, one of the few materials sufficiently effective as a fixative for ketone. The well-known and highly appreciated topnotes of good quality Oakmoss are enhanced and beautified by small amounts of this ketone. It also finds limited application in flavours, particularly in imitation Coconut and Banana, where its dry-fruity character lends desirable notes.

일반 설명2-Decanone is a constituent of the essential oil of Ruta chalepensis L., which is used in the production of food, drugs and perfumery.

상·하류 제품 정보

하류 제품

공급사50 곳

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]
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]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

추가 설명

정의ChEBI: A methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group.

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19건
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