4,4-Dimethylpentanoic acid
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4,4-Dimethylpentanoic acid
structure -
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CAS No:
1118-47-4
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Formula:
C7H14O2
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Chemical Name:
4,4-Dimethylpentanoic acid
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Synonyms:
Pentanoic acid,4,4-dimethyl-;Valeric acid,4,4-dimethyl-;4,4-Dimethylpentanoic acid;4,4-Dimethylvaleric acid;NSC 65454
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CAS No:
Safety Information
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,4-Dimethylpentanoic acid Use and Manufacturing
Intermediates
Pentanoic acid, 4,4-dimethyl-: INACTIVE|All other basic organic chemical manufacturing|Carboxylic acids, C6-8-neo-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Computed Properties
Molecular Weight:130.18
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:100
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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