4-isopropylbenzyl alcohol (CHEBI:27628)

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ChEBI Name	4-isopropylbenzyl alcohol

ChEBI ID	CHEBI:27628

Definition	A member of the class of benzyl alcohols in which the hydrogen at position 4 on the phenyl ring of benzyl alcohol has been replaced by an isopropyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:10622, CHEBI:25823

Supplier Information

Download	Molfile XML SDF

Formula

C10H14O

Net Charge

Average Mass

150.218

Monoisotopic Mass

150.10447

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3

InChIKey

OIGWAXDAPKFNCQ-UHFFFAOYSA-N

SMILES

C=1(C=CC(CO)=CC1)C(C)C

Metabolite of Species	Details
Zanthoxylum piperitum (NCBI:txid354529)	Found in pericarp (BTO:0001017). See: PubMed
Cuminum cyminum (NCBI:txid52462)	Found in seed (BTO:0001226). See: PubMed
Chamaecyparis lawsoniana (NCBI:txid58030)	Found in stem (BTO:0001300). Isolated from the stem essential oil See: PubMed
Chamaecyparis lawsoniana (NCBI:txid58030)	Found in leaf (BTO:0000713). Isolated from the leaf essential oil See: PubMed
Zanthoxylum armatum (NCBI:txid67938)	Found in seed (BTO:0001226). See: PubMed

Roles Classification
Biological Role(s):	volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound.

Application(s):	fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. insect repellent An insecticide that acts as a repellent to insects.

ChEBI Ontology
Outgoing	4-isopropylbenzyl alcohol (CHEBI:27628) has functional parent p-cymene (CHEBI:28768) 4-isopropylbenzyl alcohol (CHEBI:27628) has role fragrance (CHEBI:48318) 4-isopropylbenzyl alcohol (CHEBI:27628) has role insect repellent (CHEBI:71692) 4-isopropylbenzyl alcohol (CHEBI:27628) has role plant metabolite (CHEBI:76924) 4-isopropylbenzyl alcohol (CHEBI:27628) has role volatile oil component (CHEBI:27311) 4-isopropylbenzyl alcohol (CHEBI:27628) has role xenobiotic metabolite (CHEBI:76206) 4-isopropylbenzyl alcohol (CHEBI:27628) is a p-menthane monoterpenoid (CHEBI:25186) 4-isopropylbenzyl alcohol (CHEBI:27628) is a benzyl alcohols (CHEBI:22743)

IUPAC Name

[4-(propan-2-yl)phenyl]methanol

Synonyms	Sources
(4-isopropylphenyl)methanol	ChEBI
(4-propan-2-ylphenyl)methanol	ChEBI
4-(1-Methylethyl)benzenemethanol	ChemIDplus
4-isopropylbenzyl alcohol	UniProt
Cumic alcohol	ChemIDplus
Cumin alcohol	NIST Chemistry WebBook
Cuminic alcohol	NIST Chemistry WebBook
Cuminol	ChemIDplus
Cuminyl alcohol	ChemIDplus
Cumyl alcohol	ChemIDplus
p-Cumic alcohol	KEGG COMPOUND
p-Cumin-7-ol	NIST Chemistry WebBook
p-Cymen-7-ol	ChemIDplus
p-Isopropylbenzyl alcohol	ChemIDplus
P-Mentha-1,3,5-trien-7-ol	HMDB
para-Cymen-7-ol	NIST Chemistry WebBook

Last Modified

10 March 2017