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| CAS Number | 503-74-2 |
| Catalog Number | AG003R5S(AGN-PC-0BRQ3J) |
| Chemical Name | 3-Methylbutanoic acid |
| EC Number | 207-975-3 |
| FEMA Number | 3102 |
| IUPAC Name | 3-methylbutanoic acid |
| InChI | InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChI Key | GWYFCOCPABKNJV-UHFFFAOYSA-N |
| MDL Number | MFCD00002726 |
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.1317 |
| NSC Number | 62783 |
| SMILES | CC(C)CC(O)=O |
| UNII | 1BR7X184L5 |
| Synonyms | 3-methylbutyrate,
3-methylbutyric acid,
isovaleric acid,
ISOVALERIC ACID,
3-Methylbutanoic acid,
503-74-2,
3-Methylbutyric acid,
Isopentanoic acid,
Delphinic acid,
Butanoic acid, 3-methyl-,
Isopropylacetic acid,
Isovalerianic acid,
Isobutylformic acid,
3-Methylbutyrate,
beta-Methylbutyric acid,
Isovalerianic,
Acetic acid, isopropyl-,
Butyric acid, 3-methyl-,
3-methyl-butanoic acid,
isovalerate,
Kyselina isovalerova,
Isobutyl formic acid,
3-methyl butyric acid,
3-methyl-n-butyric acid,
Isovaleriansaeure,
Isovaleric acid (natural),
FEMA Number: 3102,
MFCD00002726,
NSC 62783,
Kyselina isovalerova [Czech],
methyl butanoic acid,
3-Methylbuttersaeure,
UNII-1BR7X184L5,
FEMA No. 3102,
HSDB 629,
3-methyl-butyric acid,
Isovaleric acid, 99%,
EINECS 207-975-3,
.beta.-Methylbutyric acid,
BRN 1098522,
3,4-Diisovaleryl adrenaline,
AI3-24132,
CHEBI:28484,
GWYFCOCPABKNJV-UHFFFAOYSA-N,
1BR7X184L5,
Butanoic acid, 3-methyl-, (R)-,
IVA,
METHYLBUTANOIC ACID,
b-Methylbutyrate,
3-Methylbutyric,
iso-valeric acid,
b-Methylbutyric acid,
iso-C4H9COOH,
3-Methylbutyric acid|,
ACMC-1BMPI,
DSSTox_CID_9182,
bmse000373,
NA 1760 (Related),
EC 207-975-3,
AC1L1V6N,
DSSTox_RID_78698,
DSSTox_GSID_29182,
SCHEMBL43436,
4-02-00-00895 (Beilstein Handbook Reference),
KSC489M7P,
Methylbutanoic acid (Related),
NATURAL ISOVALERIC ACID,
Isopropyl Acetic Acid, natural,
AC1Q1P73,
CHEMBL568737,
WLN: QV1Y1&1,
DTXSID5029182,
CTK3I9677,
KS-00000GGA,
ZINC388188,
NSC62783,
STR08356,
Isovaleric acid, analytical standard,
Tox21_201604,
ANW-30978,
BBL027399,
LMFA01020181,
NSC-62783,
STL146358,
AKOS000119861,
Isovaleric acid, >=99%, FCC, FG,
CS-W013696,
DB03750,
HY-W012980,
LS-2386,
MCULE-5805071360,
RP18769,
RTR-018005,
TRA0072843,
3-Methylbutyric acid: isopropyl-Acetate,
Isovaleric acid sodium salt (Salt/Mix),
Isovaleric acid, natural, >=98%, FG,
NCGC00249082-01,
NCGC00259153-01,
35915-22-1,
AJ-20479,
AK116943,
AN-21437,
BC677309,
CAS-503-74-2,
S153,
SC-27287,
3-Methylbutyric acid: isopropyl-Acetic acid,
TR-018005,
FT-0627533,
ST24028594,
7050-EP2286915A2,
7050-EP2287153A1,
7050-EP2289892A1,
7050-EP2292590A2,
7050-EP2295417A1,
7050-EP2301934A1,
7050-EP2305656A1,
7050-EP2305675A1,
7050-EP2308509A1,
7050-EP2308828A2,
7050-EP2308848A1,
7050-EP2308872A1,
7050-EP2314585A1,
7050-EP2316829A1,
7050-EP2374791A1,
C08262,
31567-EP2275401A1,
31567-EP2277861A1,
31567-EP2298763A1,
31567-EP2308858A1,
31567-EP2311816A1,
31567-EP2311817A1,
31567-EP2374790A1,
66994-EP2298772A1,
66994-EP2308839A1,
J-522594,
I14-10601,
F2191-0067,
Z955123492,
InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7,
delphinate,
isopentanoate,
isovalerianate,
Isovalericacid,
isopropylacetate,
3-methylbutanoate,
Isopropylethansaure,
beta-methylbutyrate,
3-methyl-n-butyrate,
Acide methyl-3-butyrique,
C5H10O2,
CID10430,
C5-H10-O2,
NA1760,
UN1760,
CS-O-10951,
FA(5:0),
Isovaleric acid, 99% - 100ML 100ml,
M0182,
C008216,
92634-50-9,
|
| Complexity | 66.5 |
| 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 | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
| Symbol: | |
| Hazard Class | 8 |
| Hazard statements | H317-H319 |
| Packing Group | Ⅱ |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code | UN 3265 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

