BORNYL ISOBUTYRATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H24O2
Molecular Weight	224.3392
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BORNYL ISOBUTYRATE

Structure Search

SMILES

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

InChI

InChIKey=KRKIAJBQOUBNSE-SUNKGSAMSA-N

InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11+,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H24O2
Molecular Weight	224.3392
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:49:31 GMT 2025` Edited by `admin` on `Mon Mar 31 20:49:31 GMT 2025`
Record UNII	G5EZ7IV0DV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-55584

Preferred Name

English

BORNYL ISOBUTYRATE

Systematic Name

English

BORNEOL, ISOBUTYRATE, (±)-

Systematic Name

English

ISOBUTYRIC ACID, 2-BORNYL ESTER

Common Name

English

PROPANOIC ACID, 2-METHYL-, (1R,2S,4R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL ESTER, REL-

Common Name

English

PROPANOIC ACID, 2-METHYL-, 1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL ESTER, ENDO-

Common Name

English

PROPANOIC ACID, 2-METHYL-, 1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL ESTER, ENDO-(±)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60884661

Created by admin on Mon Mar 31 20:49:31 GMT 2025 , Edited by admin on Mon Mar 31 20:49:31 GMT 2025

PRIMARY

ECHA (EC/EINECS)

246-427-8

Created by admin on Mon Mar 31 20:49:31 GMT 2025 , Edited by admin on Mon Mar 31 20:49:31 GMT 2025

PRIMARY

ECHA (EC/EINECS)

256-520-5

Created by admin on Mon Mar 31 20:49:31 GMT 2025 , Edited by admin on Mon Mar 31 20:49:31 GMT 2025

ALTERNATIVE

CAS

50277-27-5

Created by admin on Mon Mar 31 20:49:31 GMT 2025 , Edited by admin on Mon Mar 31 20:49:31 GMT 2025

NON-SPECIFIC STOICHIOMETRY

PUBCHEM

21116700

Created by admin on Mon Mar 31 20:49:31 GMT 2025 , Edited by admin on Mon Mar 31 20:49:31 GMT 2025

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CAS

24717-86-0

Created by admin on Mon Mar 31 20:49:31 GMT 2025 , Edited by admin on Mon Mar 31 20:49:31 GMT 2025

PRIMARY

NSC

55584

Created by admin on Mon Mar 31 20:49:31 GMT 2025 , Edited by admin on Mon Mar 31 20:49:31 GMT 2025

PRIMARY

FDA UNII

G5EZ7IV0DV

Created by admin on Mon Mar 31 20:49:31 GMT 2025 , Edited by admin on Mon Mar 31 20:49:31 GMT 2025

PRIMARY