3,7-Dimethyl-1-octanol

• CAS: 106-21-8
• Catalog Number: ACM106218
• Category: Alcohols
• Molecular Weight: 158.28
• Molecular Formula: C₁₀H₂₂O
• Synonyms: Dimethyloctanol, Pelargol, Perhydrogeraniol, Dihydrocitronellol, Tetrahydrogeraniol, Dimethyl octanol, Citronellol, dihydro-, Geraniol, perhydro-, Geraniol tetrahydride, 3,7-Dimethyl-1-octanol, Geraniol, tetrahydro-, Dimethyloctan-2-ol, 2,6-Dimethyl-8-octanol, 1-Octanol, dimethyl-, 3,7-Dimethyloctan-1-ol, 1-OCTANOL, 3,7-DIMETHYL-, FEMA No. 2391, S-3,7-Dimethyl-1-octanol, W239100_ALDRICH, 305774_ALDRICH
• IUPAC Name: 3,7-dimethyloctan-1-ol
• Canonical SMILES: CC(C)CCCC(C)CCO
• InChI Key: PRNCMAKCNVRZFX-UHFFFAOYSA-N
• Boiling Point: 98ºC(9 torr)
• Flash Point: 95ºC
• Density: 0.824g/cm³
• Appearance: Clear colorless liquid
• EC Number: 203-374-5
• Exact Mass: 158.16700
• Hazard Statements: H302
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .; S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .; S36:Wear suitable protective clothing .
• Symbol: GHS07
• WGK Germany: 1

Custom Q&A

What is the molecular formula of 3,7-Dimethyl-1-octanol?

The molecular formula is C10H22O.

What is the molecular weight of 3,7-Dimethyl-1-octanol?

The molecular weight is 158.28 g/mol.

What is the IUPAC name of 3,7-Dimethyl-1-octanol?

The IUPAC name is 3,7-dimethyloctan-1-ol.

What is the InChI of 3,7-Dimethyl-1-octanol?

The InChI is InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3.

What is the InChIKey of 3,7-Dimethyl-1-octanol?

The InChIKey is PRNCMAKCNVRZFX-UHFFFAOYSA-N.

What is the canonical SMILES of 3,7-Dimethyl-1-octanol?

The canonical SMILES is CC(C)CCCC(C)CCO.

What is the CAS number of 3,7-Dimethyl-1-octanol?

The CAS number is 106-21-8.

What is the UNII of 3,7-Dimethyl-1-octanol?

The UNII is DPY9K1927C.

What is the FEMA number of 3,7-Dimethyl-1-octanol?

The FEMA number is 2391.

What is the XLogP3-AA value of 3,7-Dimethyl-1-octanol?

The XLogP3-AA value is 3.6.