CAS:17159-79-4 / ethyl 4-oxocyclohexanecarboxylate--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 17159-79-4
ethyl 4-oxocyclohexanecarboxylate

Structure
Name: ethyl 4-oxocyclohexanecarboxylate
Synonyms:

General Information

Product Number: 17159794

CAS Number:

17159-79-4

Name:

Ethyl 4-oxocyclohexancarboxylate

Synonyms:

4-(Ethoxycarbonyl)-1-cyclohexanone;4-Carboethoxycyclohexanone;4-Cyclohexanonecarboxylic acid ethyl ester;4-Ethoxycarbonylcyclohexanone;4-Oxocyclohexane-1-carboxylic acid ethyl ester;4-Oxocyclohexanecarboxylic acid ethyl ester;Ethyl 4-ketocyclohexylcarboxylate;Ethyl cyclohexanone 4-carboxylate;NSC250674;

Chemical Formula: C9H14O3

Exact Mass: 170.09

Molecular Weight: 170.21

m/z: 170.09 (100.0%), 171.10 (10.0%), 172.10 (1.1%)

Elemental Analysis: C, 63.51; H, 8.29; O, 28.20

InChI: InChI=1S/C9H14O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7H,2-6H2,1H3

InChIKey: ZXYAWONOWHSQRU-UHFFFAOYSA-N

Canonical SMILES : CCOC(=O)C1CCC(=O)CC1

Thermal Properties	Value	Condition	Note
Boiling Point	160 °C	Press: 20 Torr	(1)CAS
Boiling Point	150-152 °C	Press: 40 Torr	(2)IC
Boiling Point	150 °C	Press: 20 Torr	(3)CAS
Boiling Point	113-118 °C	Press: 6-8 Torr	(4)CAS
Boiling Point	112-113 °C	Press: 4 Torr	(5)CAS
Boiling Point	109-111 °C	Press: 2 Torr	(6)IC
Boiling Point	82-105 °C	Press: 2.5 Torr	(7)IC
Boiling Point	82-85 °C	Press: 0.15 Torr	(8)IC

Specification

98%

References

(1) Inhoffen, Hans Herloff; Justus Liebigs Annalen der Chemie 1964, V674, P28-35 CAPLUS
(2) Miura, Tohru; EP 238305 A1 1987 CAPLUS
(3) Perxin, William Henry, Jr.; Proceedings of the Chemical Society, London 1907, V22, P268-69 CAPLUS
(4) Singh, K. P.; Indian Journal of Chemistry 1963, V1(11), P498-9 CAPLUS
(5) Banks, Charles V.; Journal of Organic Chemistry 1958, V23, P1210-11 CAPLUS
(6) Sanchez, Ignacio H.; Synthetic Communications 1985, V15(2), P141-9 CAPLUS
(7) Sprecker, Mark A.; US 4537704 A 1985 CAPLUS
(8) Grob, Cyril A.; Helvetica Chimica Acta 1979, V62(8), P2802-16 CAPLUS
(9) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
(10) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
(11) Ziora, Zyta; Phosphorus, Sulfur and Silicon and the Related Elements 2009, V184(4), P1047-1053 CAPLUS
(12) Iida, Takehiko; Journal of Organic Chemistry 2005, V70(23), P9222-9229 CAPLUS
(13) Hardegger, E.; Helvetica Chimica Acta 1944, V27, P793-800 CAPLUS

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