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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O4
Molecular Weight 148.1571
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-BIS(HYDROXYMETHYL)BUTANOIC ACID

SMILES

CCC(CO)(CO)C(O)=O

InChI

InChIKey=JVYDLYGCSIHCMR-UHFFFAOYSA-N
InChI=1S/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)

HIDE SMILES / InChI

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Ab initio structure determination of monoclinic 2,2-dihydroxymethylbutanoic acid from synchrotron radiation powder diffraction data: combined use of direct methods and the Monte Carlo method.
2001-04
Patents

Patents

JP2000063746A
1
JP2000327953A
2
JP2000344890A
1
JP2001011413A
1
JP2001055538A
1
JP2002226426A
1
JP2003286220A
1
JP2004314060A
1
JP2005146089A
1
JP2005240023A
1
JP2006283009A
1
JP2007031661A
1
JP2007106797A
1
JP2008138213A
1
JP2008506830A
1
JP2009523922A
2
JP4643643B2
2
JPH08165408A
1
JPH08259884A
1
JPH0827242A
1
JPH09157473A
1
JPH0952925A
1
JPH10265539A
1
JPH10298251A
1
JPH11171956A
1
JPH11349914A
1
Name Type Language
2,2-BIS(HYDROXYMETHYL)BUTANOIC ACID
Systematic Name English
NIKKAMER BA
Preferred Name English
2,2-DIMETHYLOLBUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 2,2-BIS(HYDROXYMETHYL)-
Common Name English
DIMETHYLOLBUTYRIC ACID
Systematic Name English
BIS(HYDROXYMETHYL)BUTANOIC ACID, 2,2-
Common Name English
2,2-DIMETHYLOLBUTYRIC ACID
Systematic Name English
DIMETHYLOLBUTANOIC ACID
Systematic Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 766
Created by admin on Mon Mar 31 19:18:56 GMT 2025 , Edited by admin on Mon Mar 31 19:18:56 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO. 448
Created by admin on Mon Mar 31 19:18:56 GMT 2025 , Edited by admin on Mon Mar 31 19:18:56 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO. 37
Created by admin on Mon Mar 31 19:18:56 GMT 2025 , Edited by admin on Mon Mar 31 19:18:56 GMT 2025
Code System Code Type Description
FDA UNII
42UJ0Z625V
Created by admin on Mon Mar 31 19:18:56 GMT 2025 , Edited by admin on Mon Mar 31 19:18:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID8064939
Created by admin on Mon Mar 31 19:18:56 GMT 2025 , Edited by admin on Mon Mar 31 19:18:56 GMT 2025
PRIMARY
CAS
10097-02-6
Created by admin on Mon Mar 31 19:18:56 GMT 2025 , Edited by admin on Mon Mar 31 19:18:56 GMT 2025
PRIMARY
PUBCHEM
3301396
Created by admin on Mon Mar 31 19:18:56 GMT 2025 , Edited by admin on Mon Mar 31 19:18:56 GMT 2025
PRIMARY
NIH
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