Basic information
- CAS
22009-37-6- Standard SMILES
Cc1ccc2c(c1)C(=O)CCC2- InChIKey
GGMYZZBVIWUXEC-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- 7-Methyltetralone
- IUPAC
- 7-methyl-3,4-dihydro-2H-naphthalen-1-one
- English name
- 7-Methyl-1-tetralone
- Molecular formula
- C11H12O
- Molecular weight
- 160.21
Names & synonyms
22009-37-67-Methyl-1-tetralone7-Methyltetralone1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-3,4-Dihydro-7-methylnaphthalen-1(2H)-one7-Methyl-alpha-tetraloneM6W8PW7VP8NSC-115847DTXSID0066747EINECS 244-717-9NSC 115847RefChem:546890
Show more names
4-dihydro-7-Methyl-3,4-dihydro-7-methyl naphthalenone7-Methyl-3,4-dihydronaphthalen-1(2H)3,4-dihydro-7-methyl-1(2h)-naphthalenon3,4-dihydro-7-methyl-1(2H)-Naphthalenone1(2H)-Naphthalenone,3,4-dihydro-7-methyl-
DTXCID7036589244-717-97-Methyl-3,4-dihydronaphthalen-1(2H)-one7-methyl-3,4-dihydro-2H-naphthalen-1-oneMFCD000876007-methyl-1,2,3,4-tetrahydronaphthalen-1-one7-methyl-3,4-dihydro-1(2h)-naphthalenone3,4-Dihydro-7-methyl-1(2H)-naphthalenone;
Database identifiers
- CAS
22009-37-6- PubChem CID
- 89147
- DTXSID
DTXSID0066747- UNII
- M6W8PW7VP8
- EC Number
- 244-717-9
- Nikkaji
- J225.514F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 35 · 35-36 °C
- Boiling point
- 143 · 143-145 °C(Press: 15 Torr)
- Density
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Dichloromethane; Ethyl Acetate
- form
- Solid
- color
- Yellow-orange
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- InChI=1S/C11H12O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h5-7H,2-4H2,1H3
- InChIKey
- GGMYZZBVIWUXEC-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC(C)=C2)CCC1
- LogP
- 1.684 · 1.684 (est)
- FDA UNII
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
Regulatory InformationChemical: 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-
Other Safety InformationIMAP assessments - 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2914390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-: INACTIVE
Applications
Description7-Methyl-1-tetralone belongs to ketone derivatives and can be used as intermediates in organic synthesis.
Uses7-Methyltetralone is an intermediate in the synthesis of (±)-cis-Calamenene (~7:1 ratio of cis/trans) (C124900), a sesquiterpene and a volatile metabolite from Salvia fruticosa plants. This compound may be a potentialantimicrobial, antifungal, and anti-inflammatory agent.
Upstream & downstream products
Downstream products
Suppliers95 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
1 records
Compound notes
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