Results for:
PubChem ID: 1110

Butanedioic Acid

Mass-Spectra

Compound Details

Synonymous names
SuccinicAcid(IndustrialGrade&FoodGrade)
ethylenedicarboxylic acid
Bernsteinsaeure
Bernsteinsaure
butanedioicacid
Dihydrofumarate
Ethanedicarboxylic acid
Butandisaeure
ethylenesuccinic acid
Succinellite
acide butanedioique
Dihydrofumaric acid
Katasuccin
Potassium Succinate
Succinicate
Acidum succinicum
Butanedionic acid
Ethylene dicarboxylic acid
KDYFGRWQOYBRFD-UHFFFAOYSA-N
Kyselina jantarova
succinate
Succinicum acidum
Succinicun acidum
Wormwood
acide succinique
Asuccin
butanedioic acid
Butane diacid
Butanedioic acid diammonium salt
Ethylene succinic acid
succ
succinic acid
Wormwood acid
Sal succini
SIN
Amber acid
1cze
AC1L1AQW
Nat.Succinic Acid
Succinic Acid ACS
Bernsteinsaure [German]
Spirit of amber
1,2-Ethanedicarboxylate
4lh2
AB6MNQ6J6L
Acid of amber
CHEMBL576
Salt of amber
Succinic acid, natural
1,2-Ethanedicarboxylic acid
C4H6O4
Kyselina jantarova [Czech]
SUCCINIC ACID, ACS
Succinic acid, FCC
UNII-AB6MNQ6J6L
1,4-Butanedioate
AC1Q757B
Amber acid, Butanedioic acid, Ethylenesuccinic acid
E363
GTPL3637
I847
KSC175Q2B
nchembio856-comp9
succinate, 9
CID1110
WLN: QV2VQ
BDBM26121
CTK0H5820
HMDB00254
HSDB 791
N1941
S0100
Substrate analogue, 11
Succinic acid, 6
Succinic Acid, pharmaceutical secondary standard; traceable to USP
T7308
1,4-Butanedioic acid
DB00139
ethane-1,2-dicarboxylic acid
LS40373
NSC25949
RP19292
S9512_SIGMA
Succinic Acid (SA)
Succinic acid [NF]
bmse000183
bmse000968
Butanedioic acid (9CI)
C00042
HOOC-CH2-CH2-COOH
S3674_SIAL
S7501_SIAL
Succinic acid, 99%
ZINC895030
AK111253
BBL002473
BT000116
DAP000545
DTXSID6023602
NSC106449
OR036689
OR200721
OR200722
OR200723
OR290683
SBB040562
STK387105
Succinic acid (8CI)
14078_FLUKA
14079_FLUKA
14079_SIAL
ACMC-20995h
CHEBI:15741
DSSTox_CID_3602
nchembio.186-comp50
nchembio.198-comp17
nchembio.266-comp26
Succinic acid, certified reference material, TraceCERT(R)
Succinic acid, United States Pharmacopeia (USP) Reference Standard
W502707_ALDRICH
W502715_ALDRICH
4CN-0813
AJ-24134
AN-22587
ANW-16131
BP-21128
DSSTox_GSID_23602
KB-60642
NSC-25949
SC-47173
TRA0035567
398055_SIAL
A 12084
DSSTox_RID_77102
LMFA01170043
AI3-06297
LS-147378
NSC 106449
NSC-106449
RTR-002122
ST24031670
ST50213944
TR-002122
AKOS000118899
I04-1083
J-002386
Z57127453
BRN 1754069
ETHYL, 1,2-DICARBOXY-
FT-0652509
Succinic acid, BioXtra, >=99.0%
Tox21_111612
Tox21_201918
Tox21_303247
110-15-6
F2191-0239
nchembio.2007.47-comp2
Succinic acid, BioReagent, suitable for cell culture, suitable for insect cell culture
6283-68-7
MCULE-5889111640
NCGC00159372-02
NCGC00159372-03
NCGC00159372-04
NCGC00159372-05
NCGC00257092-01
NCGC00259467-01
Succinic acid, >=99%, FCC, FG
Succinic acid, ACS reagent, >=99.0%
1,4-BUTANEDIOIC ACID (SUCCINIC ACID)
98-EP2269610A2
98-EP2269983A1
98-EP2269984A1
98-EP2269986A1
98-EP2269988A2
98-EP2269989A1
98-EP2269990A1
98-EP2270002A1
98-EP2270003A1
98-EP2270006A1
98-EP2270008A1
98-EP2270011A1
98-EP2270505A1
98-EP2272516A2
98-EP2272537A2
98-EP2272827A1
98-EP2275401A1
98-EP2275411A2
98-EP2275412A1
98-EP2275413A1
98-EP2275414A1
98-EP2277507A1
98-EP2277848A1
98-EP2277858A1
98-EP2277866A1
98-EP2277867A2
98-EP2280003A2
98-EP2280006A1
98-EP2280010A2
98-EP2281559A1
98-EP2281563A1
98-EP2281819A1
98-EP2284146A2
98-EP2284147A2
98-EP2284149A1
98-EP2284160A1
98-EP2284165A1
98-EP2284169A1
98-EP2284178A2
98-EP2284179A2
98-EP2286795A1
98-EP2287153A1
98-EP2287155A1
98-EP2287156A1
98-EP2287160A1
98-EP2287161A1
98-EP2287162A1
98-EP2289510A1
98-EP2289518A1
98-EP2289876A1
98-EP2289879A1
98-EP2289883A1
98-EP2289890A1
98-EP2292227A2
98-EP2292231A1
98-EP2292234A1
98-EP2292592A1
98-EP2292611A1
98-EP2292617A1
98-EP2292619A1
98-EP2295401A2
98-EP2295402A2
98-EP2295406A1
98-EP2295416A2
98-EP2295424A1
98-EP2295426A1
98-EP2295427A1
98-EP2295433A2
98-EP2295437A1
98-EP2298731A1
98-EP2298734A2
98-EP2298735A1
98-EP2298742A1
98-EP2298746A1
98-EP2298747A1
98-EP2298748A2
98-EP2298757A2
98-EP2298758A1
98-EP2298759A1
98-EP2298768A1
98-EP2298772A1
98-EP2298775A1
98-EP2301544A1
98-EP2301922A1
98-EP2301924A1
98-EP2301931A1
98-EP2301937A1
98-EP2301940A1
98-EP2305219A1
98-EP2305248A1
98-EP2305257A1
98-EP2305633A1
98-EP2305636A1
98-EP2305641A1
98-EP2305646A1
98-EP2305651A1
98-EP2305653A1
98-EP2305655A2
98-EP2305657A2
98-EP2305659A1
98-EP2305663A1
98-EP2305664A1
98-EP2305673A1
98-EP2305675A1
98-EP2305676A1
98-EP2305679A1
98-EP2308839A1
98-EP2308849A1
98-EP2308850A1
98-EP2308851A1
98-EP2308854A1
98-EP2308857A1
98-EP2308861A1
98-EP2308869A1
98-EP2308872A1
98-EP2308873A1
98-EP2308875A1
98-EP2311807A1
98-EP2311808A1
98-EP2311809A1
98-EP2311810A1
98-EP2311811A1
98-EP2311814A1
98-EP2311818A1
98-EP2311829A1
98-EP2311831A1
98-EP2311834A1
98-EP2311837A1
98-EP2311842A2
98-EP2314295A1
98-EP2314574A1
98-EP2314575A1
98-EP2314576A1
98-EP2314581A1
98-EP2314585A1
98-EP2314586A1
98-EP2314588A1
98-EP2314593A1
98-EP2316457A1
98-EP2316458A1
98-EP2316459A1
98-EP2316825A1
98-EP2316826A1
98-EP2316827A1
98-EP2316828A1
98-EP2316829A1
98-EP2316831A1
98-EP2316834A1
98-EP2316835A1
98-EP2316836A1
98-EP2371797A1
98-EP2371798A1
98-EP2371800A1
98-EP2371802A1
98-EP2371804A1
98-EP2371805A1
98-EP2372017A1
98-EP2374454A1
98-EP2374780A1
98-EP2374781A1
98-EP2380874A2
AB01332192-02
CAS-110-15-6
EINECS 203-740-4
Succinic acid, 99% 500g
Succinic acid, SAJ special grade, >=99.5%
Succinic acid, SAJ first grade, >=99.0%
Succinic acid, Vetec(TM) reagent grade, 98%
SR-01000944556
Succinic acid, ReagentPlus(R), >=99.0%
Tox21_111612_1
623158-99-6
MolPort-000-871-623
47632-EP2281817A1
47632-EP2311811A1
196539-EP2270007A1
SR-01000944556-2
BUTANEDIOIC ACID SULFO- C-C16-18-ALKYL ESTERS DISODIUM SALT
Succinic acid, p.a., ACS reagent, 99.0%
4-02-00-01908 (Beilstein Handbook Reference)
Succinic acid, purum p.a., >=99.0% (T)
Succinic acid, matrix substance for MALDI-MS, >=99.5% (T), Ultra pure
Succinic acid, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=99.0%
37E8FFFB-70DA-4399-B724-476BD8715EF0
Succinic acid, puriss. p.a., ACS reagent, >=99.5% (T)
InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8
Microorganism:

Yes

IUPAC namebutanedioic acid
SMILESC(CC(=O)O)C(=O)O
InchiInChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
FormulaC4H6O4
PubChem ID1110
Molweight118.088
LogP-0.4
Atoms14
Bonds13
H-bond Acceptor4
H-bond Donor2
Chemical ClassificationAcids carboxylic acids

mVOC Specific Details

Volatilization
The Henry's Law constant for succinic acid is estimated as 3.6X10-13 atm-cu m/mole(SRC) derived from its vapor pressure, 1.91X10-7 mm Hg(1), and water solubility, 8.32X10+4 mg/L(2). This Henry's Law constant indicates that succinic acid is expected to be essentially nonvolatile from water surfaces(3). The anion form, which is the dominant form in the environment (pKa 4.16 and 5.6(4)), will also not volatilize(SRC). Succinic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Vol 1: C1 to C4 Cmpds. Houston, TX: Gulf Pub Co (1994) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 97 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Dean JA; Handbook of Organic Chemistry. NY, NY: McGraw-Hill, Inc. (1987)
Soil Adsorption
The Koc of succinic acid is estimated as 11(SRC), using a log Kow of -0.59(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that succinic acid is expected to have very high mobility in soil. One of the pKa values of succinic acid is 4.21(4), indicating that this compound will exist in anion form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(5).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 9 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Dean JA; Handbook of Organic Chemistry. NY, NY: McGraw-Hill, Inc. (1987) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
1.91X10-7 mm Hg @ 25 deg C /extrapolated/Yaws CL; Handbook of Vapor Pressure. Volume 1 - C1 to C4 Compounds. Gulf Publishing Co: Houston, TX (1994)
MS-Links
MS-MS Spectrum 181042
MS-MS Spectrum 3772 - EI-B (Unknown) Positive
MS-MS Spectrum 3778 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 178724
MS-MS Spectrum 201332
MS-MS Spectrum 440 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 3779 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 3781 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 3780 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 181041
MS-MS Spectrum 181043
MS-MS Spectrum 3785 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 439 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 3777 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 201330
MS-MS Spectrum 3776 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Negative
MS-MS Spectrum 201331
MS-MS Spectrum 3775 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Negative
MS-MS Spectrum 441 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 3774 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Negative
MS-MS Spectrum 178722
MS-MS Spectrum 178723
MS-MS Spectrum 3786 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 3773 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Negative
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacteroides FragilisReduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.Hinton and Hume, 1995
BacteriaVeillonella Spp.Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.Hinton and Hume, 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacteroides Fragilisn/an/a
BacteriaVeillonella Spp.n/an/a