.ALPHA.-TERPINYL ISOVALERATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H26O2
Molecular Weight	238.3657
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-TERPINYL ISOVALERATE

Structure Search

SMILES

CC(C)CC(=O)OC(C)(C)C1CCC(C)=CC1

InChI

InChIKey=XRADSECIALQFFY-UHFFFAOYSA-N

InChI=1S/C15H26O2/c1-11(2)10-14(16)17-15(4,5)13-8-6-12(3)7-9-13/h6,11,13H,7-10H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C15H26O2
Molecular Weight	238.3657
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:28:44 UTC 2023` Edited by `admin` on `Sat Dec 16 00:28:44 UTC 2023`
Record UNII	41N48S2I2I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-TERPINYL ISOVALERATE

Common Name

English

TERPINYL ISOVALERATE

Systematic Name

English

.ALPHA.-TERPINYL ISOPENTANOATE

Common Name

English

ISOVALERIC ACID, P-MENTH-1-EN-8-YL ESTER

Common Name

English

TERPINYL ISOVALERATE [FHFI]

Common Name

English

FEMA NO. 3054

Code

English

BUTANOIC ACID, 3-METHYL-, 1-METHYL-1-(4-METHYL-3-CYCLOHEXEN-1-YL)ETHYL ESTER

Common Name

English

2-(4-METHYL-1-CYCLOHEX-3-ENYL)PROPAN-2-YL 3-METHYLBUTANOATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

TERPINYL ISOVALERATE

Created by admin on Sat Dec 16 00:28:44 UTC 2023 , Edited by admin on Sat Dec 16 00:28:44 UTC 2023

Code System Code Type Description

JECFA MONOGRAPH

665

Created by admin on Sat Dec 16 00:28:44 UTC 2023 , Edited by admin on Sat Dec 16 00:28:44 UTC 2023

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EPA CompTox

DTXSID60921303

Created by admin on Sat Dec 16 00:28:44 UTC 2023 , Edited by admin on Sat Dec 16 00:28:44 UTC 2023

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CAS

1142-85-4

Created by admin on Sat Dec 16 00:28:44 UTC 2023 , Edited by admin on Sat Dec 16 00:28:44 UTC 2023

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FDA UNII

41N48S2I2I

Created by admin on Sat Dec 16 00:28:44 UTC 2023 , Edited by admin on Sat Dec 16 00:28:44 UTC 2023

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PUBCHEM

585911

Created by admin on Sat Dec 16 00:28:44 UTC 2023 , Edited by admin on Sat Dec 16 00:28:44 UTC 2023

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