beta-Tetralone

한글명:beta-Tetralone

카스 번호530-93-8

상품명:beta-Tetralone

CBNumberCB0486794

분자식C10H10O

포뮬러 무게146.19

MOL 파일530-93-8.mol

화학적 성질

녹는점	18 °C(lit.)
끓는 점	131 °C11 mm Hg(lit.)
밀도	1.106 g/mL at 25 °C(lit.)
굴절률	n20/D 1.560(lit.)
인화점	>230 °F
저장 조건	2-8°C
용해도	클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태	액체 또는 저융점 고체
색상	맑은 연한 노란색
수용성	불용성
감도	Air Sensitive
BRN	509386
InChIKey	KCKZIWSINLBROE-UHFFFAOYSA-N
CAS 데이터베이스	530-93-8(CAS DataBase Reference)
NIST	2(1H)-Naphthalenone, 3,4-dihydro-(530-93-8)
EPA	2-Tetralone (530-93-8)

위험 및 안전 성명

위험품 표기

Xi,Xn

위험 카페고리 넘버

36/37/38-20/21/22

안전지침서

26-36

WGK 독일

F 고인화성물질

TSCA

Yes

HS 번호

29143900

NFPA 704:

	1
2		1

그림문자(GHS)

beta-Tetralone MSDS

beta-Tetralone 화학적 특성, 용도, 생산

화학적 성질
Liquid colorless to yellow
용도
β-Tetralone is the 2-keto derivative of Tetralin. β-Tetralone was initially reported to be a metabolite of Tetralin but was later found to be just an artifact in the metabolism process. β-Tetralone is known to be biological marker in fossil fuels.
Purification Methods
If reasonably pure, then fractionate it through an efficient column. Otherwise purify it via the bisulfite adduct. To a solution of NaHSO3 (32.5g, 0.31mol) in H2O (57mL) is added 95% EtOH (18mL) and set aside overnight. Any bisulfite-sulfate that separated is removed by filtration, and the filtrate is added to the tetralone (14.6g, 0.1mol) and shaken vigorously. The adduct separates in a few minutes as a white precipitate and is kept on ice for ~3.5hours with occasional shaking. The precipitate is collected, washed with 95% EtOH (13mL), then with Et2O (4 x 15mL, by stirring the suspension in the solvent, filtering and repeating the process). The colourless product is dried in air and stored in air tight containers in which it is stable for extended periods (yield is ~17g). This bisulfite (5g) is suspended in H2O (25mL), and Na2CO3.H2O (7.5g) is added (pH of solution is ~10). The mixture is then extracted with Et2O (5 x 10mL, i.e. until the aqueous phase does not test for tetralone — see below). Wash the combined extracts with 10% aqueous HCl (10mL), H2O (10mL, i.e. until the washings are neutral), dry (MgSO4), filter, evaporate and distil the residual oil using a Claisen flask under reduced pressure and in a N2 atmosphere. The pure tetralone is a colourless liquid b 70-71o/0.25mm (see also above). The yield is ~2g. Tetralone test: Dissolve a few drops of the tetralone solution (ethereal or aqueous) in 95% EtOH in a test tube and add 10 drops of 25% NaOH down the side of the tube. A deep blue colour develops at the interface with air. [Soffer et al. Org Synth Coll Vol IV 903 1963, Cornforth et al. J Chem Soc 689 1942, UV: Soffer et al. J Am Chem Soc 1556 1952.] The phenylhydrazone has m 108o [Crawley & Robinson J Chem Soc 2001 1938]. [Beilstein 7 H 370, 7 II 295, 7 III 1422, 7 IV 1018.]

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