3-옥타논

3-Octanone

HCID 246728CAS 106-68-3

기본 정보

표준 SMILES
CCCCCC(=O)CC
InChIKey
RHLVCLIPMVJYKS-UHFFFAOYSA-N
분자식
C8H16O
평균 분자량
128.21 g/mol
단동위원소 질량
128.12011513

이름 및 식별자

우선 이름
3-Octanone
IUPAC
octan-3-one
현지명
3-옥타논
영어명
3-Octanone
분자식
C8H16O
분자량
128.21

이름 및 동의어

3-OctanoneOctan-3-one106-68-3Ethyl pentyl ketoneEthyl n-pentyl ketoneEthyl n-amyl ketone3-OxooctaneFEMA No. 2803DTXSID3041954NSC-60161DTXCID1021954CHEBI:80946
이름 더 보기
3-옥타논3-옥탄온ETHYL AMYL KETONEFEMA 2803octan-3-OCTANONE,3-Octane-3-onn-Octanone-3
79173B4107RefChem:25868203-423-0Amyl ethyl ketoneEthyl n-amylketoneEAKNSC 60161MFCD00009515

데이터베이스 식별자

CAS
106-68-3
PubChem CID
246728
DTXSID
DTXSID3041954
ChEMBL
CHEMBL2269087
ChEBI
CHEBI:80946
UNII
79173B4107
EC Number
203-423-0
Nikkaji
J3.245J

물성

구조 계산 물성

XLogP
2.3
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
5
무거운 원자 수
9

물리화학적 성질

녹는점
-23 °C · -23 °C
끓는 점
167 · 167-168 °C (lit.)
밀도
0.822 g/mL · 0.822 g/mL at 25 °C (lit.)
증기압
2.67 hPa · 2.67hPa at 20℃
FEMA
2803 · 2803 | 3-OCTANONE
굴절률
20 · n20/D 1.415(lit.)

화학적 성질

3-Octanone has a strong, penetrating, fruity odor reminiscent of lavender.

안전 및 규제

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
RH1485000
ridadr
UN 2271
독성
skn-rbt 500 mg/24H MOD FCTXAV 12,715,74
HS 번호
29141900

화학 및 산업

응용 분야 · 4건

개요3-Octanone has a strong, penetrating, fruity odor reminiscent of lavender. It can be prepared by passing a mixture of vapors of caproic acid and acetic acid over ThO2 at 400°C, or by oxidation of d-ethyl n-amyl carbinol with chromates; another synthetic route is reported.

출처Reported identified in the low-boiling fraction of the essential oil of lavender; also reported found in the essential oils of Lavandula vera (10%) and French lavender. Reported found in banana, bilberry, currants, guava, melon, blueberry, blackberry, strawberry jam, peas, fried potato, ginger, Mentha oils, thyme, cheeses, butter, fish, cooked meats, cognac, coffee, tea, roasted peanuts, pecan, soybean, olive, plum, beans, mushroom, wild marjoram, trassi, rice bran, litchi, calamus, buckwheat, rosemary, lemon balm, clary sage, rosemary, truffle, nectarine, anise hyssop and maté.

용도3-Octanone can be produced by oxidation of 3-octanol or by heating propionic acid and caproic acid over thorium oxide. 3-Octanone is used as an ingredient in soaps, perfumes, lotions, and creams. It is also used as a flavoring agent in foods. U.S. production and importation of 3-octanone was estimated to be relatively low (,25,000 lb at a single site) in 2005 as data for 3-octanone were not included in the 2006 U.S. EPA Inventory Update Reporting database.

일반 설명A clear colorless liquid with a pungent odor. Insoluble in water and partially soluble in alcohol. Flash point of 138°F. Vapors are denser than air and may have a narcotic effect in high concentrations. Used in making perfumes and as a solvent for nitrocellulose and vinyl resins.

제조 방법

By heating propionic and caproic acids over thorium oxide or by oxidation of ethyl amyl carbinol (3-octanol) (Arctander, 1969).

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]

관련 반응

13건

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