β-Thujone[β-侧柏酮]

CAS:471-15-8

SKU： NCC.471.15.8 分类： [Flavor raw materials/香料原料]

保证安全结账

描述

CAS Registry Number^®

471-15-8

CAS Name

(+)-Thujone

Molecular Formula

C₁₀H₁₆O

Molecular Mass

152.23

Compound Properties

Boiling Point (1)

202-203 °C @ Press: 760 Torr
Melting Point (2)

170 °C
Density (1)

0.9154 g/cm³ @ Temp: 20 °C

Source(s)

(1) Bonino, G. B.; Mem. accad. Italia. Chim., (1932), 3(No. 4), 5-41, CAplus
(2) Wilson, John B.; Journal of the Association of Official Agricultural Chemists, (1930), 13, 389-97, CAplus

Other Names and Identifiers

InChI

InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1

InChIKey

InChIKey=USMNOWBWPHYOEA-XKSSXDPKSA-N

SMILES

C(C)(C)[C@]12[C@](C1)([C@H](C)C(=O)C2)[H]

Canonical SMILES

O=C1CC2(CC2C1C)C(C)C

Other Names for this Substance

Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4S,5R)-
3-Thujanone, (1S,4S,5R)-(+)-
Isothujone
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1α,4β,5α)]-
(1S,4S,5R)-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
(+)-Isothujone
β-Thujone
d-Isothujone
Thujone, (+)-
d-β-Thujone
cis-Thujone
(+)-Thujone
(+)-β-Thujone
NSC 67392
4-Methyl-1-(1-methylethyl)-[1S-(1α,4β,5α)]-bicyclo[3.1.0]hexan-3-one

Deleted or Replaced CAS Registry Numbers

7785-59-3, 33766-29-9, 1933729-95-3