Basic information
- CAS
26533-34-6- Standard SMILES
CCCCCC(O)C(C)C- InChIKey
DIVBBSLQUDHECU-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 2-Methyloctan-3-ol
- IUPAC
- 2-methyloctan-3-ol
- English name
- 2-METHYL-3-OCTANOL
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
2-Methyl-3-octanol2-Methyloctan-3-ol26533-34-63-Octanol, 2-methyl-EINECS 247-762-2DTXSID801316064NSC 139738RefChem:476112DTXCID901745937247-762-2MFCD00021946NSC139738
Show more names
2-methyl-octan-3-ol2-Methyl-3-octanol>Amylisopropylcarbinol2-METHYL-3-OCTANOL 98+%N-AMYLISOPROPYLCARBINOLISOPROPYLPENTYLCARBINOL
SCHEMBL887134SCHEMBL3946030SCHEMBL5048400AKOS009158662NSC-139738SB85105SY053499CS-0450523
Database identifiers
- CAS
26533-34-6- PubChem CID
- 98464
- DTXSID
DTXSID801316064- EC Number
- 247-762-2
- Nikkaji
- J101.306H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 69.1
Physicochemical properties
- Melting point
- 6.15 °C · 6.15°C (estimate)
- Boiling point
- 189 °C · 189 °C
- Density
- 0.83 · 0.83
- refractive index
- 1.43 to · 1.4300 to 1.4320
- pka
- 15.31 · 15.31±0.20(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 5.7 · 5.7×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 501 · P501-P210-P280-P370+P378-P403+P235
- HS Code
- 2905.16 · 2905.16.0050
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2905.16.0050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers27 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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