Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.1051 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C(O)=O
InChI
InChIKey=KQNPFQTWMSNSAP-UHFFFAOYSA-N
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.1051 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:05:53 UTC 2023
by
admin
on
Fri Dec 15 16:05:53 UTC 2023
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| Record UNII |
8LL210O1U0
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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JECFA EVALUATION |
ISOBUTYRIC ACID
Created by
admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
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EPA PESTICIDE CODE |
101502
Created by
admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
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CFR |
21 CFR 172.515
Created by
admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
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| Code System | Code | Type | Description | ||
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ISOBUTYRIC ACID
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440
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201-195-7
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16135
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62780
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SUB91405
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100000141277
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5228
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DB02531
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8LL210O1U0
Created by
admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
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C020380
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6590
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79-31-2
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DTXSID4021636
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m6470
Created by
admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Esterifying acid of sesquiterpenes found in Butterbur.
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
