(+-)-Wieland-Miescher ketone

HCID 89262
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Basic information

CAS
20007-72-1
Standard SMILES
CC12CCC(=O)C=C1CCCC2=O
InChIKey
DNHDRUMZDHWHKG-UHFFFAOYSA-N
Molecular formula
C11H14O2
Average molar mass
178.23 g/mol
Monoisotopic mass
178.09937969

Names & identifiers

Preferred name
(+-)-Wieland-Miescher ketone
IUPAC
8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
English name
WIELAND-MIESCHER KETONE
Molecular formula
C11H14O2
Molecular weight
178.23

Names & synonyms

20007-72-13,4,8,8a-Tetrahydro-8a-methyl-(2H,7H)naphthalene-1,6-dioneDTXSID40894783RefChem:1049052(+-)-Wieland-Miescher ketoneDTXCID701324347243-463-6Wieland-Miescher ketone1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione8a-methyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dioneMFCD00001687
Show more names
(n)-9-methyl-e(LABOTEST-BB LT00233231Wieland-Mieschler ketonewieland-miescher ketone, racemic9-Methyl-Δ5(10)-octalin-1,6-dione(±)-9-methyl-5(10)-octaline-1,6-dione9-METHYL-DELTA-5(10)-OCTALINE-1,6-DIONE9-METHYL-DELTA/5(10)-OCTALIN-1,6-DIONE, 98%
FAX7VUD577MLS0026947573,4,8,8a-tetrahydro-8a-methyl-1,6(2H,7H)-naphthalenedione8a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1,6-dioneNSC-87581( inverted exclamation markA)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione(8AR)-8a-Methyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione

Database identifiers

CAS
20007-72-1、33878-99-8
PubChem CID
89262
DTXSID
DTXSID40894783
ChEMBL
CHEMBL1891117
UNII
FAX7VUD577
EC Number
243-463-6
Nikkaji
J280.421B

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
13

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
47 · 47-50 °C(lit.)
Boiling point
109 · 109-115 °C/0.05 mmHg(lit.)
Density
1.0196 · 1.0196 (rough estimate)
refractive index
1.501 · 1.5010 (estimate)
storage temp.
2 · 2-8°C
BRN
3201286 · 3201286

Safety & regulation

Safety data

F
8-9
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
safety_code
22-24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

UsesWieland-Miescher Ketone is a useful research chemical used in the preparation and synthesis of optically active polycyclic organic compounds.

Suppliers20 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都翔才医药科技有限公司13683497877
Aladdin Scientific[email protected]

Related reactions

7 records
New reaction record

Compound notes

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