Basic information
- CAS
33892-75-0- Standard SMILES
COc1cccc2c1CCCC2=O- InChIKey
BRCPWISABURVIH-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 5-Methoxytetralone
- IUPAC
- 5-methoxy-3,4-dihydro-2H-naphthalen-1-one
- English name
- 5-Methoxy-3,4-dihydro-2H-naphthalen-1-one
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
5-Methoxy-1-tetralone33892-75-05-methoxytetralone1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-5-METHOXY-5-Methoxy-1,2,3,4-tetrahydronaphthalen-1-onealpha-Tetralone, 5-methoxy-EINECS 251-723-575E8EE6Y3XNSC 310000BRN 20473833,4-Dihydro-5-methoxy-1(2H)-naphthalenoneDTXSID70187514
Show more names
4-dihydro-5-Methoxy-5-methoxytetralin-1-one5-Methoxy-1-tetralone>5-METHOXY-1-TETRALONE 97%5-Methoxy-1-tetralone,97%6-Methoxy-2-tetralone-97%5-METHOXY-1-TETRALONE TECH 94+%
NSC-3100004-08-00-00903 (Beilstein Handbook Reference)5-METHOXY-1,2,3,4-TETRAHYDRO-1-OXONAPHTHALENERefChem:536765DTXCID30110005251-723-55-methoxy-3,4-dihydronaphthalenone5-methoxy-3,4-dihydronaphthalen-1(2H)-one
Database identifiers
- CAS
33892-75-0- PubChem CID
- 36620
- DTXSID
DTXSID70187514- UNII
- 75E8EE6Y3X
- EC Number
- 251-723-5
- Nikkaji
- J42.442K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 87 · 87-91 °C(lit.)
- Boiling point
- 160 · 160-162 °C7 mm Hg(lit.)
- Density
- 1.0431 · 1.0431 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- Flash point
- 160 · 160-162°C/7mm
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Light yellow
- BRN
- 2047383 · 2047383
- InChI
- InChI=1S/C11H12O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7H,2,5-6H2,1H3
- InChIKey
- BRCPWISABURVIH-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C(OC)=CC=C2)CCC1
- CAS DataBase Reference
- 33892 · 33892-75-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- QK4800000
- hs_code
- 2914390090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses5-Methoxy-1-tetralone is used in the preparation of hydroxy ketone.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
泰州市海盈科技有限公司0523-0523-86222516 13382003766 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
68 records
Compound notes
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