Basic information
- CAS
1198-96-5- Standard SMILES
CC1(C)CCc2ccccc2O1- InChIKey
MITIYLBEZOKYLX-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 2,2-Dimethylchroman
- IUPAC
- 2,2-dimethyl-3,4-dihydrochromene
- English name
- 2,2-DIMETHYLCHROMANE
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
2,2-Dimethylchroman2H-1-Benzopyran, 3,4-dihydro-2,2-dimethyl-Chroman, 2,2-dimethyl-DTXSID00152598NSC 63863RefChem:243559DTXCID4075089MITIYLBEZOKYLX-UHFFFAOYSA-N1198-96-52,2-Dimethylchromane2,2-dimethyl-3,4-dihydro-2H-1-benzopyran2,2-dimethyl-3,4-dihydrochromene
Show more names
3,4-Dihydro-2,2-dimethyl-2H-chromene, 3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran
3,4-Dihydro-2,2-dimethyl-2H-1-benzopyranMFCD00052285NSC-63863NSC638632H-1-BENZOPYRAN,3,4-DIHYDRO-2,2-DIMETHYLChroman,2-dimethyl-2,2-Dimethylchromane #NCIOpen2_000173
Database identifiers
- CAS
1198-96-5- PubChem CID
- 136936
- DTXSID
DTXSID00152598- UNII
- B7V8B8B74Q
- Nikkaji
- J80.089I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 248.94 °C · 248.94°C (rough estimate)
- Density
- 0.9411 · 0.9411 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 260 · P260-P280-P271
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P260-P280-P271
Chemistry & industry
Applications
Uses2,2-Dimethylchroman is a reagent used in the identification of retinoic acid receptor antagonists.
Suppliers14 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
Related reactions
16 records
Compound notes
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