2-Propyl-1-heptanol

Basic Information

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CAS Number

10042-59-8

Molecular Formula

C10H22O

Molecular Weight

158.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-1.53°C (estimate)

Boiling Point

213.4°C (estimate)

Water Solubility

Insoluble in water. Miscible with most common organic solvents.

Refractive Index

1.4360

SMILES

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CCCCCC(CCC)CO

InChI

InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3

InChIKey

YLQLIQIAXYRMDL-UHFFFAOYSA-N

LogP

2.975300000000002

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

71.3

Synonyms & References

English

BRN 1361442
2-Propyl-1-heptanol #
AKOS016037548
2-PROPYL-1-HEPTANOL
UNII-ROZ1V94YZK
EC 233-126-1
2-propyl heptanol
NCGC00248205-01
Q7250471
DTXCID309302
NS00001370
MFCD00046768
?2-PROPYL-1-HEPTANOL
2-Propylheptanol
4-(METHANESULFINYL)PHENYLBORONIC ACID
EINECS 233-126-1
CAS-10042-59-8
SCHEMBL21366
10042-59-8
AS-40646
CS-0061487
4-01-00-01827 (Beilstein Handbook Reference)
NCGC00254807-01
2-Propylheptan-1-ol
2-Propylheptyl Alcohol
SY058759
CHEMBL3186950
DTXSID9029302
AI3-25311
A897448
HY-W024975

MDL Number

MFCD00046768

FAQ

What are the physical and chemical properties of 2-Propyl-1-heptanol (CAS: 10042-59-8)?

2-Propyl-1-heptanol (CAS: 10042-59-8) is a colorless liquid with a pronounced odor. Its molecular weight is approximately 134.25 g/mol. The compound is slightly soluble in water but miscible with most organic solvents. It is moderately reactive with strong acids and bases. It exhibits a melting point of -44°C and a boiling point of 150-155°C. It is used in fragrance and flavor applications due to its pleasant aroma.

How is 2-Propyl-1-heptanol (CAS: 10042-59-8) typically synthesized?

2-Propyl-1-heptanol is typically synthesized via the reduction of 2-Propyl-1-heptanone using a catalyst such as sodium borohydride. The reaction is carried out in an aqueous medium, yielding high selectivity and good yield. The process is conducted under mild conditions to ensure safety and efficiency.

What industries use 2-Propyl-1-heptanol (CAS: 10042-59-8)?

2-Propyl-1-heptanol (CAS: 10042-59-8) is primarily used in the fragrance and flavor industries due to its pleasing aroma. It also finds application in the pharmaceutical sector as a solvent and in the polymer industry for the synthesis of certain materials. Additionally, it is used in the production of sensors and semiconductors for its chemical properties.

What precautions should be taken when handling 2-Propyl-1-heptanol (CAS: 10042-59-8)?

When handling 2-Propyl-1-heptanol (CAS: 10042-59-8), appropriate Personal Protective Equipment (PPE) such as gloves, goggles, and lab coats should be worn. It should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up promptly using absorbent materials. In case of exposure, seek medical attention. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.