ρ- cymen-7-ol

Compound Structure:

Synonyms:

4-isopropylbenzyl alcohol; 536-60-7 ;Cumic alcohol; Cuminol ;cuminyl alcohol

Compound ID:

NMPC-1670

PubChem ID:

325

Molecular Formula:

C10H14O

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CO

InChIKey:

OIGWAXDAPKFNCQ-UHFFFAOYSA-N

About the compound:

4-isopropylbenzyl alcohol is a member of the class of benzyl alcohols in which the hydrogen at position 4 on the phenyl ring of benzyl alcohol has been replaced by an isopropyl group. It has a role as a fragrance, an insect repellent, a volatile oil component, a plant metabolite and a xenobiotic metabolite. It is a p-menthanemonoterpenoid and a member of benzyl alcohols. It is functionally related to a p-cymene.

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	150.22 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	150.104465066 g/mol
Monoisotopic Mass	150.104465066 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	101
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	colourless to pale yellow oily liquid with a spicy, caraway-like odour
Boiling Point	135.00 to 136.00 °C. @ 26.00 mm Hg
Melting Point	28 °C
Density	0.974-0.982
Solubility	insoluble in water; soluble in organic solvents, oils

Source:PubChem

Source Species:

Eucalyptus globulus
Eugenia aromatica

Download SDF