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303550

Sigma-Aldrich

3,5,5-Trimethylhexanal

95%

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About This Item

Linear Formula:
(CH3)3CCH2CH(CH3)CH2CHO
CAS Number:
5435-64-3
Molecular Weight:
142.24
EC Number:
226-603-0
MDL number:
MFCD00010441
UNSPSC Code:
12352100
PubChem Substance ID:
24858129
NACRES:
NA.22

Assay

95%

form

liquid

refractive index

n20/D 1.421 (lit.)

bp

67-68 °C/2.5 mmHg (lit.)

density

0.817 g/mL at 25 °C (lit.)

SMILES string

CC(CC=O)CC(C)(C)C

InChI

1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3

InChI key

WTPYRCJDOZVZON-UHFFFAOYSA-N

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Application

3,5,5-Trimethylhexanal was used in preparation of gem-dithiols via reaction with hydrogen sulfide.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H317,H412

Hazard Classifications

Aquatic Chronic 3 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

93.2 °F - closed cup

Flash Point(C)

34 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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gem-Dithiols1.
Cairns TL, et al.
Journal of the American Chemical Society, 74(16), 3982-3989 (1952)

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