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2,2-Dimethyl-4-pentenal

2,2-Dimethyl-4-pentenal structure

CAS No:
5497-67-6
Formula:
C7H12O
Chemical Name:
2,2-Dimethyl-4-pentenal
Synonyms:
4-Pentenal,2,2-dimethyl-;2,2-Dimethyl-4-pentenal;2,2-Dimethyl-4-penten-1-al;NSC 14676
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to light yellow liquid

2,2-Dimethyl-4-pentenal Basic Attributes

Molecular Weight：

112.17

Exact Mass：

112.17

EC Number：

226-834-7

NSC Number：

14676

DSSTox ID：

DTXSID30203502

HScode：

2912190090

Characteristics

PSA：

17.1

XLogP3：

1.78760

Appearance：

Clear colorless to light yellow Liquid

Density：

0.825 g/mL at 25 °C(lit.)

Melting Point：

-53.35°C (estimate)

Boiling Point：

124-126 °C

Flash Point：

65 °F

Refractive Index：

n20/D 1.4203(lit.)

Storage Conditions：

Refrigerator (+4°C) + Flammables area

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 1989 3/PG 3

hazard class code：

11-36/37/38-22

safety instructions：

16-26-33-36

Marks：

F,Xi,Xn

Precautionary statement(s)：

P210-P280-P301 + P312 + P330-P305 + P351 + P338-P337 + P313-P403 + P235

Hazard Statements：

H225-H302-H315-H319-H335

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 46 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:112.17
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:92.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,2-Dimethyl-4-pentenal

CAS No.: 5497-67-6

Content: 99.00%

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