TERT-AMYL ISOVALERATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H20O2
Molecular Weight	172.2646
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TERT-AMYL ISOVALERATE

Structure Search

SMILES

CCC(C)(C)OC(=O)CC(C)C

InChI

InChIKey=FQTWYBHJKXPHSO-UHFFFAOYSA-N

InChI=1S/C10H20O2/c1-6-10(4,5)12-9(11)7-8(2)3/h8H,6-7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C10H20O2
Molecular Weight	172.2646
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:51:03 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:03 GMT 2025`
Record UNII	5L4S0A7RPJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TERT-AMYL ISOVALERATE [MI]

Preferred Name

English

TERT-AMYL ISOVALERATE

Systematic Name

English

1,1-DIMETHYLPROPYL 3-METHYLBUTANOATE

Systematic Name

English

BUTANOIC ACID, 3-METHYL-, 1,1-DIMETHYLPROPYL ESTER

Systematic Name

English

TERT-PENTYL ALCOHOL, ISOVALERATE

Systematic Name

English

Code System Code Type Description

FDA UNII

5L4S0A7RPJ

Created by admin on Mon Mar 31 21:51:03 GMT 2025 , Edited by admin on Mon Mar 31 21:51:03 GMT 2025

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EPA CompTox

DTXSID90578425

Created by admin on Mon Mar 31 21:51:03 GMT 2025 , Edited by admin on Mon Mar 31 21:51:03 GMT 2025

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MERCK INDEX

m1008

Created by admin on Mon Mar 31 21:51:03 GMT 2025 , Edited by admin on Mon Mar 31 21:51:03 GMT 2025

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Merck Index

PUBCHEM

15800896

Created by admin on Mon Mar 31 21:51:03 GMT 2025 , Edited by admin on Mon Mar 31 21:51:03 GMT 2025

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CAS

542-37-0

Created by admin on Mon Mar 31 21:51:03 GMT 2025 , Edited by admin on Mon Mar 31 21:51:03 GMT 2025

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