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Basic information
- CAS
818-81-5- Standard SMILES
CCCCCCC(C)CO- InChIKey
IGVGCQGTEINVOH-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Overview
2-methyloctanol has been reported in Ruta chalepensis with data available.
Names & identifiers
- Preferred name
- 2-Methyloctanol
- IUPAC
- 2-methyloctan-1-ol
- English name
- 2-METHYL-1-OCTANOL
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
2-Methyloctan-1-ol818-81-52-Methyloctanol2-Methyl-1-octanol1-Octanol, 2-methyl-EINECS 212-457-54FT7336DZ71-HYDROXY-2-METHYLOCTANEDTXSID20862425RefChem:476115DTXCID40811192212-457-5
Show more names
2-Methylontan-1-ol
MFCD02258714UNII-4FT7336DZ7(-)-2-methyloctanol2-Methyl-n-octanol-12-Methyl-1-octanol #SCHEMBL226264SCHEMBL354924SCHEMBL4894327
Database identifiers
- CAS
818-81-5- PubChem CID
- 102495
- DTXSID
DTXSID20862425- UNII
- 4FT7336DZ7
- EC Number
- 212-457-5
- Nikkaji
- J193.211J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 61.7
Experimental & physicochemical properties
SolventsSolvents -> Alcohols (<C12)
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- 6.15 °C · 6.15°C (estimate)
- Boiling point
- 192.9 °C · 192.9°C (estimate)
- Density
- 0.8446 · 0.8446 (estimate)
- refractive index
- 1.4073 · 1.4073 (estimate)
- FLAVIS Number
- 2.178 · 02.178 | 2-Methyloctan-1-ol
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), DMSO (Slightly)
- form
- Oil
- pka
- 15.09 · 15.09±0.10(Predicted)
- color
- Colourless
- Henry's Law Constant
- 4.8 · 4.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
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, P273, 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 InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Methyloctan-1-ol is a useful research chemical used in the regioselective preparation of primary alcohols via via tandem hydroformylation/hydrogenation of terminal alkenes.
Suppliers24 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Aladdin Scientific[email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
Related reactions
8 records
Compound notes
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