ISOBORNYL ACETATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H20O2
Molecular Weight	196.286
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C

InChI

InChIKey=KGEKLUUHTZCSIP-FOGDFJRCSA-N

InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16345609 | https://www.ncbi.nlm.nih.gov/pubmed/1438515

Isobronyl acetate (an isomer of bornyl acetate) is a component of many essential oils, which was observed to be inhibitory to microorganisms. It was also shown to have sedative effect on mice after inhalation. Isobronyl acetate is mainly used in cosmetics as a flavor and fragrance agent.

CNS Activity

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Bacterial infections 234 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16345609	Curative		Basic research	Unknown Approved Use Unknown
Sedation 4 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1438515	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
[Study on the chemical constituents of the volatile oil from Lysimachia trientaloides Hemsl].	2002 May	12541960
An unusual and persistent contamination of drinking water by cutting oil.	2003 Feb	12688700
Ion exchange resins as catalyst for the isomerization of alpha-pinene to camphene.	2004 Jun	15051072
Full-scale chamber investigation and simulation of air freshener emissions in the presence of ozone.	2004 May 15	15212253
Anticonvulsant activity and chemical composition of Artemisia dracunculus L. essential oil.	2004 Oct	15325732
[Profile-effect on quality control of Houttuynia cordata injection].	2005 Dec	16496683
Composition, enantiomeric distribution, and antibacterial activity of the essential oil of Achillea ligustica All. from Corsica.	2006 Aug 23	16910724
Variation in chemical composition and antibacterial activities of essential oils from two species of Houttuynia THUNB.	2006 Jul	16819207
Phytochemical analysis of the essential oil of Achillea millefolium L. from various European Countries.	2006 Oct	17127661
Ethnoveterinary medicines used for ruminants in British Columbia, Canada.	2007 Feb 26	17324258
Chemical composition and antimicrobial and antioxidant activities of the essential oil and methanol extract of Hippomarathrum microcarpum (Bieb.) from Turkey.	2007 Feb 7	17263496
Composition and enantiomeric analysis of the essential oil of the fruits and the leaves of Pistacia vera from Greece.	2007 Jun 30	17876292
Analysis by gas chromatography-mass spectrometry of essential oil from seeds and aerial parts of Ferulago angulata (Schlecht.) Boiss gathered in Nevakoh and Shahoo, Zagross mountain, West of Iran.	2007 Mar 1	19069871
Essential oil composition and antioxidant activity of aerial parts of Grindelia robusta from Central Italy.	2007 Sep	17600634
Activity of essential oils and individual components against acetyl- and butyrylcholinesterase.	2008 Jul-Aug	18810999
Separation and identification of volatile constituents in Artemisia argyi flowers by GC-MS with SPME and steam distillation.	2008 May-Jun	18492349
Antinociceptive effect and GC/MS analysis of Rosmarinus officinalis L. essential oil from its aerial parts.	2009 Apr	19184968
Chemical composition of hydrodistilled essential oil of Artemisia incana (L.) Druce and antimicrobial activity against foodborne microorganisms.	2009 Dec	20020464
Essential oil variability in natural populations of Picea omorika, a rare European conifer.	2009 Feb	19235161
Radical Scavenging Activity of the Essential Oil of Silver Fir (Abies alba).	2009 May	19430614
Analysis of essential oils from different organs of Scutellaria baicalensis.	2010 Aug	21213540
Misidentification of tansy, Tanacetum macrophyllum, as yarrow, Achillea grandifolia: a health risk or benefit?	2010 Jan	20184036
Relation between developmental stage, sensory properties, and volatile content of organically and conventionally grown pac choi (Brassica rapa var. Mei Qing Choi).	2010 May	20546419

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Inhibition of growth rate of B. thuringiensis was measured in the presence of isobronyl acetate. The inhibition of 100% was achieved at concentration less than 0.04 mg/ml.

Name

Type

Language

ISOBORNYL ACETATE

Official Name

English

ISOBORNYL ACETATE [INCI]

Common Name

English

PICHTOSIN

Common Name

English

(±)-ISOBORNYL ACETATE

Common Name

English

NSC-62486

Code

English

ISOBORNYL ACETATE [FCC]

Common Name

English

Isobornyl acetate [WHO-DD]

Common Name

English

BICYCLO(2.2.1)HEPTAN-2-OL, 1,7,7-TRIMETHYL-, 2-ACETATE, (1R,2R,4R)-REL-

Common Name

English

ISOBORNYL ACETATE [FHFI]

Common Name

English

FEMA NO. 2160

Code

English

ISOBORNEOL, ACETATE

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

ISOBORNYL ACETATE