Basic information
- CAS
22663-61-2- Standard SMILES
CCCCCCCCCCC(C)CO- InChIKey
SCHAAFQMJJWGJM-UHFFFAOYSA-N- Molecular formula
- C13H28O
- Average molar mass
- 200.36 g/mol
- Monoisotopic mass
- 200.21401551
Names & identifiers
- Preferred name
- 2-Methyl-1-dodecanol
- IUPAC
- 2-methyldodecan-1-ol
- English name
- 2-Methyl-1-dodecanol
- Molecular formula
- C13H28O
- Molecular weight
- 200.36
Names & synonyms
2-Methyl-1-dodecanol22663-61-21-Dodecanol, 2-methyl-2-methyldodecyl alcohol2V0N57LV6IRefChem:10636412-methyldodecan-1-ol(s)-(-)-2-methyl-1-dodecanolMFCD0225868257289-26-6UNII-2V0N57LV6I2-METHYL-1-DODECANOL (S)
Show more names
SCHEMBL727208SCHEMBL3726879SCHEMBL28789191DTXSID50873307SCHAAFQMJJWGJM-UHFFFAOYSA-NAKOS013993198G63322Q27255628
Database identifiers
- CAS
22663-61-2、57289-26-6- PubChem CID
- 42265
- DTXSID
DTXSID50873307- UNII
- 2V0N57LV6I
- Nikkaji
- J2.247.329H
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 26.15 °C · 26.15°C (estimate)
- Boiling point
- 268.11 °C · 268.11°C (estimate)
- Density
- 0.7947 · 0.7947 (estimate)
- refractive index
- 1.4192 · 1.4192 (estimate)
- pka
- 15.04 · 15.04±0.10(Predicted)
- FDA UNII
- 2 V0N57LV6I · 2V0N57LV6I
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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