VANILLIN 2,3-BUTANEDIOL ACETAL, TRANS-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16O4
Molecular Weight	224.253
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VANILLIN 2,3-BUTANEDIOL ACETAL, TRANS-

Structure Search

SMILES

COC1=C(O)C=CC(=C1)C2O[C@H](C)[C@@H](C)O2

InChI

InChIKey=JZJHVHUFPUYAJF-HTQZYQBOSA-N

InChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3/t7-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H16O4
Molecular Weight	224.253
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:46:11 GMT 2025` Edited by `admin` on `Mon Mar 31 20:46:11 GMT 2025`
Record UNII	9E14963L3Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VANILLIN 2,3-BUTANEDIOL ACETAL, TRANS-

Common Name

English

FEMA NO. 4023, (4R,5R)-

Preferred Name

English

PHENOL, 4-((4R,5R)-4,5-DIMETHYL-1,3-DIOXOLAN-2-YL)-2-METHOXY-, REL-

Common Name

English

VANILLIN BUTANE-2,3-DIOL ACETAL, TRANS-

Common Name

English

PHENOL, 4-(4,5-DIMETHYL-1,3-DIOXOLAN-2-YL)-2-METHOXY-, (4R,5R)-REL-

Common Name

English

(±)-4-((4R,5R)-4,5-DIMETHYL-1,3-DIOXOLAN-2-YL)-2-METHOXY-PHENOL

Systematic Name

English

VANILLIN THREO-BUTAN-2,3-DIOL ACETAL

Common Name

English

4-((4R,5R)-4,5-DIMETHYL-1,3-DIOXOLAN-2-YL)-2-METHOXY-PHENOL

Systematic Name

English

Code System Code Type Description

FDA UNII

9E14963L3Y

Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025

PRIMARY

PUBCHEM

71587694

Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025

PRIMARY

CAS

316821-13-3

Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025

PRIMARY

EPA CompTox

DTXSID60185569

Created by admin on Mon Mar 31 20:46:11 GMT 2025 , Edited by admin on Mon Mar 31 20:46:11 GMT 2025

PRIMARY