Basic information
- CAS
707-35-7- Standard SMILES
CC12CC3CC(C)(C1)CC(C)(C3)C2- InChIKey
WCACLGXPFTYVEL-UHFFFAOYSA-N- Molecular formula
- C13H22
- Average molar mass
- 178.31 g/mol
- Monoisotopic mass
- 178.1721507
Overview
1,3,5-Trimethyladamantane has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- 1,3,5-Trimethyladamantane
- IUPAC
- 1,3,5-trimethyladamantane
- English name
- 1,3,5-Trimethyladamantane
- Molecular formula
- C13H22
- Molecular weight
- 178.31
Names & synonyms
1,3,5-Trimethyladamantane707-35-7DTXSID80220966RefChem:72346DTXCID10143457815-982-3WCACLGXPFTYVEL-UHFFFAOYSA-NMFCD002162191,3,5-Trimethyl Adamantane1,3,5-Trimethyltricyclo[3.3.1.13,7]decaneC13H22(1r,3s)-1,3,5-trimethyladamantane
Show more names
1,3,5-triMethyladaMantan1,3,5 TRIMETHYL ADMANTANE1,3,5-Trimethyladamentane1,3,5-Trimethyladamantane,95%1,3,5-Trimethyladamantane in isooctane1,3,5-trimethyladamantane 707-35-7 1gm
Tricyclo[3.3.1.13,7]decane, 1,3,5-trimethyl-(1s,3s,5s)-1,3,5-trimethyladamantaneAS-58413W17234tricyclo[3.3.1.1~3,7~]decane, 1,3,5-trimethyl-Tricyclo[3.3.1.13,7]decane, 1,3,5-trimethyl-; Adamantane, 1,3,5-trimethyl- (7CI,8CI); 1,3,5-Trimethyltricyclo[3.3.1.13,7]decane; 1,3,5-TrimethyladamantaneBB 0262340FT-0675601
Database identifiers
- CAS
707-35-7- PubChem CID
- 136552
- DTXSID
DTXSID80220966
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 88 · 88.0-89.5 °C(Press: 19 Torr)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol (Slightly)
- form
- Oil
- color
- Clear Colourless
- InChI
- InChI=1S/C13H22/c1-11-4-10-5-12(2,7-11)9-13(3,6-10)8-11/h10H,4-9H2,1-3H3
- InChIKey
- WCACLGXPFTYVEL-UHFFFAOYSA-N
- SMILES
- C12(C)CC3(C)CC(CC(C)(C3)C1)C2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,3,5-Trimethyladamantane is an alkyladamantane derivative that are biotransformed via strains of Pseudomonas. It is used to study alkyladamantane adsorption on graphitized thermal carbon black.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers85 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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