1,3-BUTADIENYL ACETATE, (1E)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H8O2
Molecular Weight	112.1265
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1,3-BUTADIENYL ACETATE, (1E)-

Structure Search

SMILES

CC(=O)O\C=C\C=C

InChI

InChIKey=NMQQBXHZBNUXGJ-SNAWJCMRSA-N

InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+

HIDE SMILES / InChI

Molecular Formula	C6H8O2
Molecular Weight	112.1265
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:03:25 GMT 2025` Edited by `admin` on `Mon Mar 31 19:03:25 GMT 2025`
Record UNII	4B2X0YSB2H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-BUTADIENYL ACETATE, (1E)-

Systematic Name

English

1,3-BUTADIEN-1-OL, 1-ACETATE, (1E)-

Preferred Name

English

TRANS-1-ACETOXYBUTADIENE

Systematic Name

English

1,3-BUTADIEN-1-OL, ACETATE, (1E)-

Systematic Name

English

TRANS-1-ACETOXY-1,3-BUTADIENE

Systematic Name

English

(1E)-1,3-BUTADIEN-1-OL ACETATE

Systematic Name

English

Code System Code Type Description

FDA UNII

4B2X0YSB2H

Created by admin on Mon Mar 31 19:03:25 GMT 2025 , Edited by admin on Mon Mar 31 19:03:25 GMT 2025

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EPA CompTox

DTXSID00189208

Created by admin on Mon Mar 31 19:03:25 GMT 2025 , Edited by admin on Mon Mar 31 19:03:25 GMT 2025

PRIMARY

CAS

35694-20-3

Created by admin on Mon Mar 31 19:03:25 GMT 2025 , Edited by admin on Mon Mar 31 19:03:25 GMT 2025

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PUBCHEM

5363433

Created by admin on Mon Mar 31 19:03:25 GMT 2025 , Edited by admin on Mon Mar 31 19:03:25 GMT 2025

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