3,3-Dimethylbutanoic acid
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3,3-Dimethylbutanoic acid
structure -
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CAS No:
1070-83-3
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Formula:
C6H12O2
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Chemical Name:
3,3-Dimethylbutanoic acid
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Synonyms:
Butanoic acid,3,3-dimethyl-;Butyric acid,3,3-dimethyl-;Butyric acid,β,β-dimethyl-;3,3-Dimethylbutanoic acid;3,3-Dimethylbutyric acid;tert-Butylacetic acid;NSC 4537;852148-42-6
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CAS No:
Description
YELLOW LIQUIDChEBI: A dimethylbutyric acid in which both methyl substituents are at C3; used as an intermediate in the synthesis of medicines and agricultural chemicals.
3,3-dimethylbutyric acid is a dimethylbutyric acid in which both methyl substituents are at C3; used as an intermediate in the synthesis of medicines and agricultural chemicals.
3,3-Dimethylbutanoic acid Basic Attributes
116.16
116.16
213-982-2
Q80K0TZQ55
4537
DTXSID0061450
29159000
Characteristics
37.3
1.4
Clear colorless transparent liquid
0.9303 g/cm3 @ Temp: 0 °C
6.5 °C
190 °C
192 °F
n 20/D 1.411(lit.)
soluble in water (19g/L).
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
0.286mmHg at 25°C
Safety Information
III
8
UN 3265 8/PG 2
3
8
26-36/37/39-45-36/39
C,Xi
Stable under normal temperatures and pressures.
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 46 companies from 3 notifications to the ECHA C&L Inventory.
3,3-Dimethylbutanoic acid Use and Manufacturing
Butanoic acid, 3,3-dimethyl-: ACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Computed Properties
Molecular Weight:116.16
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:89.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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