3,3-Dimethylbutanal, 95%

Name: 3,3-Dimethylbutanal
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

2987-16-8

Molecular Weight

100.16

Formula

C6H12O

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About this item

IUPAC name	3,3-dimethylbutanal
inchi	InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3
inchi key	LTNUSYNQZJZUSY-UHFFFAOYSA-N
molecular formula	C6H12O
synonyms	3,3-Dimethylbutyraldehyde 3,3-dimethylbutanal 2987-16-8 Butanal, 3,3-dimethyl- 3,3-dimethyl-butyraldehyde

Computed Properties

Molecular Weight:	100.16 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	100.088815002 g/mol
Monoisotopic Mass:	100.088815002 g/mol
Topological Polar Surface Area:	17.1 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	59.1
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (98.1%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AW8144

3,3-Dimethylbutanal, 95%

Product No: AW8144

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

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About this item

Documentation

Certificate of Analysis

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Product No: AW8144

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?