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| CAS Number | 149-57-5 |
| Catalog Number | AG001LC6(AGN-PC-0WAIYD) |
| Chemical Name | Hexanoic acid, 2-ethyl- |
| IUPAC Name | 2-ethylhexanoic acid |
| InChI | InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
| InChI Key | OBETXYAYXDNJHR-UHFFFAOYSA-N |
| MDL Number | MFCD00002675 |
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.2114 |
| NSC Number | 8881 |
| RTECS Number | MO7700000 |
| SMILES | C(C)C(C(=O)O)CCCC |
| UN Number | 1993 |
| Synonyms | 2-ethylhexanoic acid,
Sinesto B,
2-ETHYLHEXANOIC ACID,
149-57-5,
2-Ethylcaproic acid,
Hexanoic acid, 2-ethyl-,
Ethylhexanoic acid,
Ethylhexoic acid,
2-Ethylhexoic acid,
Butylethylacetic acid,
2-Butylbutanoic acid,
3-Heptanecarboxylic acid,
Ethyl hexanoic acid,
2-ethyl hexanoic acid,
alpha-Ethylcaproic acid,
2-Ethylhexansaeure,
2-ethyl-hexoic acid,
2-ethyl-hexanoic acid,
CCRIS 3348,
HSDB 5649,
alpha-ethyl caproic acid,
Kyselina 2-ethylkapronova [Czech],
NSC 8881,
EINECS 205-743-6,
MFCD00002675,
.alpha.-Ethylcaproic acid,
Ethyl hexanoic acid, 2-,
(+/-)-2-ETHYLHEXANOIC ACID,
Kyselina heptan-3-karboxylova [Czech],
BRN 1750468,
2-EHA,
2-Ethylhexanoic acid, 99%,
2 ETHYL HEXANOIC ACID,
AI3-01371,
125804-07-1,
CHEBI:89058,
OBETXYAYXDNJHR-UHFFFAOYSA-N,
DSSTox_CID_5293,
DSSTox_RID_77730,
DSSTox_GSID_25293,
2-Ethylhexanoic acid, >=99%,
2-ethylhexans,
2-Ethylhexanoic acid, analytical standard,
CAS-149-57-5,
Kyselina 2-ethylkapronova,
2-Ethylhexanoic acid rare earth salts,
Rare earth 2-ethylhexanoate,
Kyselina heptan-3-karboxylova,
Hexanoic acid, 2-ethyl-, rare earth salts,
2-ethylhexanoicacid,
Hexanoic acid, 2-ethyl-, (-)-,
EINECS 262-971-9,
2-Ethyl-Hexonic acid,
alpha-Ethylhexanoic acid,
Hexanoicacid, 2-ethyl-,
AC1Q5RXZ,
2-Ethyl-1-hexanoic acid,
.alpha.-Ethylhexanoic acid,
ACMC-209d2x,
EC 205-743-6,
AC1L1RJ1,
AC1Q2V8O,
SCHEMBL25800,
61788-37-2,
MLS002415695,
CHEMBL1162485,
DTXSID9025293,
WLN: QVY4 & 2,
CTK0H3542,
KS-00000WJD,
NSC8881,
HMS2267F21,
7511-41-3,
NSC-8881,
STR05759,
Tox21_201406,
Tox21_300108,
ANW-21223,
LMFA01020087,
LS-869,
SBB060021,
AKOS009031416,
CS-W016381,
MCULE-5686478683,
NE10211,
RTR-006069,
TRA0071148,
Hexanoic acid,2-ethyl-, tridecyl ester,
NCGC00091324-01,
NCGC00091324-02,
NCGC00091324-03,
NCGC00253985-01,
NCGC00258957-01,
AN-44004,
SMR001252268,
TR-006069,
E0120,
FT-0612273,
FT-0654390,
ST50823933,
EN300-20410,
27648-EP2298767A1,
27648-EP2314587A1,
54213-EP2272832A1,
54213-EP2292592A1,
54213-EP2295438A1,
54213-EP2308510A1,
54213-EP2308562A2,
54213-EP2374787A1,
2-ethylhexanoate (isobar with 2-propylpentanoate),
I04-1473,
W-109079,
F0001-0703,
18FEB650-7573-4EA0-B0CD-9D8BED766547,
2-Ethylhexanoic acid, Pharmaceutical Secondary Standard; Certified Reference Material,
octanoic acid,
Isooctanoic acid,
manganese octoate,
2-ethylhexanoate,
Sinesto B,
iso-octanoic acid,
Tridecyl octanoate,
2-Ethylcapronic acid,
(R)-2-Ethylhexanoic acid,
Cupric 2-ethylhexanoate,
EHO (CHRIS Code),
(S)-2-Ethylhexanoic acid,
UNII-01MU2J7VVZ,
UNII-FN4Z5UVG6L,
01MU2J7VVZ,
Copper bis(2-ethylhexanoate),
Cupric bis(2-ethylhexanoate),
2-Ethylhexanoic acid, Inhalable,
C8H16O2.1/2Cu,
CID8697,
C8-H16-O2.1/2Cu,
CS-CY-00011,
NSC 4139,
EINECS 205-731-0,
2-Ethylhexanoic acid, 99% 100ml,
AR-1E1569,
C8-H16-O2,
NA8027,
FA(8:0),
Hexanoic acid, 2- ethyl- , tridecyl ester,
Hexanoic acid, 2-ethyl-, copper(2+) salt,
3-10-00-01641 (Beilstein Handbook Reference),
Hexanoic acid, 2-ethyl-, copper(2++) salt,
2-Ethylhexanoic Acid 99% for synthesis 500ml,
C040668,
Ethyl hexanoic acid, 2-; (Butyl ethyl acetic acid),
Hexanoic acid, 2-ethyl-, copper(2+) salt (2:1),
Azilsartan K Medoxomil Impurity-7 (2-EHA Impurities),
56006-48-5,
25103-52-0,
72377-05-0,
EHA,
1070-68-4,
149-11-1,
15956-58-8,
89564-53-4,
|
| Complexity | 99.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.214g/mol |
| Monoisotopic Mass | 144.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
| Symbol: | |
| Hazard statements | H303+H313-H316-H361 |
| Precuationary statements | P201-P202-P280-P312-P332+P313-P405-P501 |
| Siginal words | |
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| Chemical Structure: | CAS Registry No: | |
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