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| CAS Number | 75-98-9 |
| Catalog Number | AG0035HV(AGN-PC-0077IV) |
| Chemical Name | Pivalic acid |
| EC Number | 200-922-5 |
| IUPAC Name | 2,2-dimethylpropanoic acid |
| InChI | InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7) |
| InChI Key | IUGYQRQAERSCNH-UHFFFAOYSA-N |
| MDL Number | MFCD00004194 |
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.1317 |
| NSC Number | 65449 |
| RTECS Number | TO7700000 |
| SMILES | CC(C)(C)C(O)=O |
| UN Number | 3261 |
| UNII | 813RE8BX41 |
| Synonyms | 2,2-dimethylpropionic acid,
pivalic acid,
pivalic acid, sodium salt,
Pivalic acid,
75-98-9,
Trimethylacetic acid,
2,2-DIMETHYLPROPANOIC ACID,
2,2-Dimethylpropionic acid,
Neopentanoic acid,
tert-Pentanoic acid,
Propanoic acid, 2,2-dimethyl-,
Versatic 5,
Kyselina pivalova,
Acetic acid, trimethyl-,
alpha,alpha-Dimethylpropionic acid,
2,2-dimethyl-propionic acid,
Dimethylpropionic acid,
acide pivalique,
acido pivalico,
Kyselina 2,2-dimethylpropionova,
Neovaleric acid,
Propionic acid, 2,2-dimethyl-,
Kyselina pivalova [Czech],
NSC 65449,
2,2-dimethyl-propanoic acid,
UNII-813RE8BX41,
tert-C4H9COOH,
HSDB 5211,
EINECS 200-922-5,
BRN 0969480,
Kyselina 2,2-dimethylpropionova [Czech],
acide 2,2-dimethylpropanoique,
AI3-04165,
CHEBI:45133,
IUGYQRQAERSCNH-UHFFFAOYSA-N,
813RE8BX41,
MFCD00004194,
.alpha.,.alpha.-Dimethylpropionic acid,
pivalicacid,
Trimethylacetic acid, 99%,
Pivalinsaeure,
Pivalinsaure,
pivaloic acid,
Pvalc acd,
Pivalic acid;,
PivOH,
PIRBUTEROLHCL,
trimethyl acetic acid,
trimethyl-acetic acid,
Pivalic acid, 99%,
PubChem16826,
AC1L1MHI,
AC1Q1LRO,
AC1Q5RPB,
DSSTox_CID_6432,
tert-Butyl carboxylic acid,
2,2 dimethylpropanoic acid,
EC 200-922-5,
SCHEMBL3613,
DSSTox_RID_78111,
2,2,-dimethylpropionic acid,
2,2,2-trimethylacetic acid,
DSSTox_GSID_26432,
4-02-00-00908 (Beilstein Handbook Reference),
KSC377A9F,
ACMC-209p14,
CHEMBL322719,
ZINC7993,
Dimethylpropionic acid (Related),
DTXSID8026432,
WLN: QVX1&1&1,
CTK2H7092,
Pivalic acid (ACD/Name 4.0),
CS-D1464,
EBD16617,
NSC65449,
Tox21_200425,
ANW-36710,
LMFA01020073,
NSC-65449,
STL264139,
AKOS000119013,
MCULE-7166067227,
RP18767,
RTX-012537,
TRA0076585,
CAS-75-98-9,
NCGC00248606-01,
NCGC00257979-01,
AJ-08308,
AN-23884,
BC207643,
BP-30032,
SC-16199,
AB1002486,
LS-117395,
ST2413688,
FT-0656670,
P0461,
KS-00000145,
Pivalic acid solution, 1 M in dichloromethane,
6745-EP1441224A2,
6745-EP2275401A1,
6745-EP2277861A1,
6745-EP2289883A1,
6745-EP2292590A2,
6745-EP2292597A1,
6745-EP2298763A1,
6745-EP2298767A1,
6745-EP2298772A1,
6745-EP2298779A1,
6745-EP2308839A1,
6745-EP2308858A1,
6745-EP2311816A1,
6745-EP2311817A1,
6745-EP2374790A1,
M-6153,
16419-EP2275401A1,
16419-EP2281563A1,
16419-EP2289890A1,
16419-EP2305646A1,
16419-EP2311842A2,
16419-EP2316459A1,
2,2-Dimethylpropionic acid; Trimethylacetic acid,
J-523981,
S04-0120,
F2191-0097,
Z1258943356,
InChI=1/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7,
Trimethylacetic acid; 2,2-Dimethylpropanoic acid; Neopentanoic acid,
PIV,
pivalinsyre-,
TAA (CHRIS Code),
Propanoic acid,2-dimethyl-,
Propionic acid,2-dimethyl-,
C5H10O2,
CID6417,
AR-1L1152,
C5-H10-O2,
NA1993,
Trimethylacetic acid; (Pivalic acid),
UN1993,
FA(5:0),
Pivalic acid, 99% - 100ML 100ml,
38029-10-6,
99461-73-1,
|
| Complexity | 78.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 102.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 102.133g/mol |
| Monoisotopic Mass | 102.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
| Symbol: | |
| Hazard Class | 8 |
| Hazard statements | H302+H312-H314 |
| Packing Group | Ⅱ |
| Precautionary statements | P280-P303+P361+P353-P304+P340-P305+P351+P338-P310 |
| UN Code | UN 3261 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

