Basic information
- CAS
1015-55-0- Standard SMILES
COc1ccc(OC)c2c1CCCC2=O- InChIKey
VAMWBRIIBYQTGS-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Overview
structure in first source
Names & identifiers
- Preferred name
- 5,8-Dimethoxytetralone
- IUPAC
- 5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
- English name
- 5 8-Dimethoxy-1-tetralone 99
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
5,8-DimethoxytetraloneRefChem:9130181015-55-05,8-dimethoxy-3,4-dihydronaphthalen-1(2h)-one3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one5,8-Dimethoxytetralin-1-one1(2H)-Naphthalenone, 3,4-dihydro-5,8-dimethoxy-5,8-Dimethoxy-1-tetralone5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-oneNSC-103559EINECS 213-803-8
Show more names
5 8-Dimethoxy-1-tetralone 995,8-Dimethoxy-1-tetralone 99%1(2H)-Naphthalenone,3,4-dihydro-5,8-dimethoxy-5,8-Dimethoxy-1,2,3,4-tetrahydronaphthalene-1-one
MFCD03701612NSC103559SS5ZYG2USQNCIOpen2_007286SCHEMBL1274261SCHEMBL31597571DTXSID201439685,8-Dimethoxy-1-tetralone, 99%
Database identifiers
- CAS
1015-55-0- PubChem CID
- 70546
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 59 · 59-63 °C(lit.)
- InChI
- 1S/C12H14O3/c1-14-10-6-7-11(15-2)12-8(10)4-3-5-9(12)13/h6-7H,3-5H2,1-2H3
- InChIKey
- VAMWBRIIBYQTGS-UHFFFAOYSA-N
- SMILES
- COc1ccc(OC)c2C(=O)CCCc12
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers12 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
兰州金诚楷摩医药科技有限公司13361936468 · [email protected]
Related reactions
3 records
Compound notes
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