4-Isopropylbenzyl alcohol - CAS 536-60-7

Catalog:	BB028304
Product Name:	4-Isopropylbenzyl alcohol
CAS:	536-60-7
Synonyms:	(4-propan-2-ylphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-propan-2-ylphenyl)methanol
Description:	4-Isopropylbenzyl alcohol (CAS# 536-60-7) is a useful research chemical.
Molecular Weight:	150.22
Molecular Formula:	C10H14O
Canonical SMILES:	CC(C)C1=CC=C(C=C1)CO
InChI:	InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
InChI Key:	OIGWAXDAPKFNCQ-UHFFFAOYSA-N
Boiling Point:	135-136 °C
Melting Point:	28-136 °C
Flash Point:	113°C
Purity:	95 %
Density:	0.982 g/cm³
Appearance:	Clear colourless to slightly yellow liquid
MDL:	MFCD00004663
LogP:	2.30230
Refractive Index:	1.519

Publication Number	Title	Priority Date
CN-113456626-A	Xanthine oxidase inhibitor and screening method and application thereof	20210816
CN-113476582-A	Chinese herbal medicine preparation for bathing for promoting blood circulation and dispelling cold and preparation method thereof	20210810
CN-113425641-A	Method for producing agilawood by utilizing plant cell culture fermentation and application of agilawood in cosmetics	20210705
CN-113355156-A	Antioxidant, preparation method thereof and application thereof in edible oil	20210630
CN-113346415-A	High-voltage direct-current submarine cable flexible joint degassing device, monitoring system and method	20210512

PMID	Publication Date	Title	Journal
29191726	20180101	Essential oils of culinary herbs and spices display agonist and antagonist activities at human aryl hydrocarbon receptor AhR	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22033086	20120901	Fragrance material review on p-isopropylbenzyl alcohol	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
23025190	20120901	Toxicity of Zanthoxylum piperitum and Zanthoxylum armatum oil constituents and related compounds to Stomoxys calcitrans (Diptera: Muscidae)	Journal of medical entomology
21942283	20111109	Photochemical activation of ruthenium(II)-pyridylamine complexes having a pyridine-N-oxide pendant toward oxygenation of organic substrates	Journal of the American Chemical Society
22164796	20111001	Essential oil analysis and antibacterial activity of Rosmarinus tournefortii from Algeria	Natural product communications

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.104465066
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.104465066
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3