Benzyl alcohol

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8O
Molecular Weight	108.1378
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

OCC1=CC=CC=C1

InChI

InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N

InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

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Description

Benzyl Alcohol is an aromatic alcohol used in a wide variety of cosmetic formulations as a fragrance component, preservative, solvent, and viscosity-decreasing agent. FDA agency approved benzyl alcohol for the treatment of head lice. The drug acts on head lice by inhibiting them from closing their respiratory spiracles, allowing the vehicle to obstruct the spiracles and causing the lice to asphyxiate.

Originator

Approval Year

Conditions

Conditions

Condition	Modality	Targets	Highest Phase	Product
Head lice infestation 5	Curative		Approved 8,429	ULESFIA

C_max

Value	Dose	Co-administered	Analyte	Population
1.8 μM	0.46 mmol single, subcutaneous	NANDROLONE DECANOATE	BENZOIC ACID serum	Homo sapiens
34.8 μM	0.46 mmol single, subcutaneous	NANDROLONE DECANOATE	BENZYL ALCOHOL serum	Homo sapiens
16.6 μM	0.46 mmol single, subcutaneous	NANDROLONE DECANOATE	HIPPURIC ACID serum	Homo sapiens

AUC

Value	Dose	Co-administered	Analyte	Population
417.4 μM × h	0.46 mmol single, subcutaneous	NANDROLONE DECANOATE	BENZOIC ACID serum	Homo sapiens
397.3 μM × h	0.46 mmol single, subcutaneous	NANDROLONE DECANOATE	BENZYL ALCOHOL serum	Homo sapiens
7113.6 μM × h	0.46 mmol single, subcutaneous	NANDROLONE DECANOATE	HIPPURIC ACID serum	Homo sapiens

Doses

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Dose	Population	Adverse events
234 mg/kg multiple, intravenous Overdose	unhealthy, 29 weeks (range: 26-34 weeks) n = 10	Disc. AE: Toxic reaction (NOS)...

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AEs

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AE	Significance	Dose	Population
Toxic reaction (NOS)	grade 5, 2 patients Disc. AE	234 mg/kg multiple, intravenous Overdose	unhealthy, 29 weeks (range: 26-34 weeks) n = 10

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Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP4B1 1 CYP2B1 14 CYP1A1 110

Drug as perpetrator

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Target	Modality	Activity
CYP4B1 12	inhibitor 3,277	no [IC50 >10000 uM]
CYP2B1 41	inhibitor 3,277	weak [IC50 2440 uM]
CYP1A1 218	inhibitor 3,277	weak [IC50 7020 uM]

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Sourcing

Sourcing

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Vendor/Aggregator	ID	URL
001 Chemical	DY40684	https://www.001chemical.com/chem/100-51-6
001 Chemical	DY437775	https://www.001chemical.com/chem/66072-40-0
3B Scientific (Wuhan) Corp	3B4-3118	http://www.3bsc.com/index/pro_info.php?id=77750
AA Blocks	AA00003C	http://www.aablocks.com/goods/Goods/detail?id=AA00003C
AEchem Scientific Corp., USA	AE052994	http://www.aechemsc.com/info_products/AE052994.php

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PubMed

PubMed

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Title	Date	PubMed
Final report on the safety assessment of Benzyl Alcohol, Benzoic Acid, and Sodium Benzoate.	2001	11766131
Effect of benzene, toluene, xylene on the semen quality and the function of accessory gonad of exposed workers.	2001 Apr	11341554
Biotransformations catalyzed by cloned p-cymene monooxygenase from Pseudomonas putida F1.	2001 Apr	11341314
Isolated mental developmental delay in very low birth weight infants: association with prolonged doxapram therapy for apnea.	2001 Dec	11743509
Chromosome 11 allelotypes reflect a mechanism of chemical carcinogenesis in heterozygous p53-deficient mice.	2001 Jan	11159746

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Sample Use Guides

In Vivo Use Guide

4-48 oz (depending on hair lenght) for 7 days

Route of Administration: Topical

In Vitro Use Guide

Unknown

Show entries

Name

Type

Language

Benzyl alcohol

Official Name

English

BENZYL ALCOHOL [MI]

Common Name

English

(HYDROXYMETHYL)BENZENE

Systematic Name

English

ALCOHOL,BENZYL

Common Name

English

BENZYL ALCOHOL [MART.]

Common Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

BENZYL ALCOHOL

Anti-Infective Agent

NCI_THESAURUS

C28394

Established Pharmacologic Class

NDF-RT

N0000181811

FLAVOURING AGENT

JECFA EVALUATION

INS-1519

ESTABLISHED CONTACT ALLERGEN IN HUMANS

EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION

SCCS/1459/11

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Code System

Code

Type

Description

JECFA MONOGRAPH

310

PRIMARY

WIKIPEDIA

BENZYL ALCOHOL

PRIMARY

EPA CompTox

DTXSID5020152

PRIMARY

NSC

8044

PRIMARY

NCI_THESAURUS

C77028

PRIMARY

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ACTIVE MOIETY


					LKG8494WBH

Benzyl alcohol

SMILES

InChI

Originator

Approval Year

Conditions

Cmax

AUC

Doses

AEs

Overview

OverviewOther

Drug as perpetrator​

Sourcing

PubMed

Sample Use Guides

C_max

Drug as perpetrator