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2,2-dimethylbut-3-enoicacid

2,2-dimethylbut-3-enoicacid structure

CAS No:
10276-09-2
Formula:
C6H10O2
Chemical Name:
2,2-dimethylbut-3-enoicacid
Synonyms:
2,2-dimethylbut-3-enoic acid;2,2-Dimethyl-3-butenoic acid;3-Butenoic acid, 2,2-diMethyl-;2,2-Dimethyl-3-butenoicacid,95%
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

2,2-dimethyl-3-butenoic acid is a branched-chain fatty acid.

2,2-dimethylbut-3-enoicacid Basic Attributes

Molecular Weight：

114.14

Exact Mass：

114.068079557 g/mol

DSSTox ID：

DTXSID70145492

Characteristics

PSA：

37.3 Å²

Density：

0.957

Melting Point：

-6℃

Boiling Point：

185℃

Refractive Index：

1.4305 (589.3 nm 18℃)

PKA：

4.42±0.10

Safety Information

Hazard category：

GHS Classification：

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2,2-dimethylbut-3-enoicacid Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Computed Properties

Molecular Weight:114.14
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2,2-dimethylbut-3-enoicacid

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2,2-dimethylbut-3-enoic acid

CAS No.: 10276-09-2

Content: 99.00%

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Changzhou Xuanming Pharmaceutical Techno Contact Supplier

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CAS No.: 10276-09-2

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 2,2-dimethylbut-3-enoicacid

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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