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CAS Number: 6500-65-8
2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one

Structure

 2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
Name: 2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
Synonyms:
General Information
Product Number: 6500658

CAS Registry Number 6500-65-8
Name:
5H-?Benzocyclohepten-?5-?one, 6,?7,?8,?9-?tetrahydro-?2-?methoxy-
2-Methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one
7-Methoxybenzosuberone
NSC 105616

 

Chemical Formula: C12H14O2
Exact Mass: 190.10
Molecular Weight: 190.24
m/z: 190.10 (100.0%), 191.10 (13.1%)

 

InChI:InChI=1S/C12H14O2/c1-14-10-6-7-11-9(8-10)4-2-3-5-12(11)13/h6-8H,2-5H2,1H3

InChI Key:WLRMIOGKWITDNU-UHFFFAOYSA-N

Canonical SMILES:COC1=CC2=C(C=C1)C(=O)CCCC2

 

Thermal Properties Value Condition Note
Boiling Point 130 °C Press: 0.4 Torr (1)IC
Boiling Point 118-122 °C Press: 0.5 Torr (2)CAS
Melting Point 62 °C   (3)IC
Melting Point 60.5-61.0 °C   (4)IC
Melting Point 57-58 °C   (5)IC
Melting Point 54-56 °C   (6)CAS
Melting Point 54-56 °C   (2)CAS

Specification

98%
References
  1. (1) Rahman bin Manas, Abdul; Tetrahedron 1987, V43(8), P1847-56 CAPLUS
  2. (2) Galantay, Eugene E.; US 3458577 A 1969 CAPLUS
  3. (3) Carpenter, Philip D.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1979, (1), P103-7 CAPLUS
  4. (4) Miller, R. Bryan; Journal of Organic Chemistry 1978, V43(8), P1569-73 CAPLUS
  5. (5) Hicks, Martin G.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1984, (10), P2297-304 CAPLUS
  6. (6) Levshina, K. V.; Zhurnal Obshchei Khimii 1961, V31, P156-60 CAPLUS
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