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Key Documents

Safety Information

118419

Sigma-Aldrich

3,4-Dimethylhexane

Mixture of (±) and meso, 97%

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About This Item

Linear Formula:
CH3CH2CH(CH3)CH(CH3)CH2CH3
CAS Number:
Molecular Weight:
114.23
Beilstein:
1718744
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.403 (lit.)

bp

119 °C (lit.)

density

0.72 g/mL at 25 °C (lit.)

SMILES string

CCC(C)C(C)CC

InChI

1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3

InChI key

RNTWWGNZUXGTAX-UHFFFAOYSA-N

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Application

3,4-Dimethylhexane may be used to study the mechanism of addition of hydrogen to 1-butene.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

42.8 °F - closed cup

Flash Point(C)

6 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

118419-BULK:
118419-1G:4548174017548
118419-5G:
118419-VAR:


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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THE ADDITION OF HYDROGEN ATOMS TO SOLID OLEFINS AT-195?*.
Klein R and Scheer MD.
Journal of the American Chemical Society, 80(4), 1007-1007 (1958)

Protocols

-1,3-Dimethylcyclopentane; 1,1-Dimethylcyclopentane; 2,2,3-Trimethylpentane; 2,2-Dimethylbutane; 2,2-Dimethylhexane; 2,2-Dimethylpentane; 2,3-Dimethylbutane; 2,3-Dimethylhexane; 2,4-Dimethylheptane; 2,4-Dimethylpentane; 2,5-Dimethylheptane; 2-Methylhexane; 2-Methylpentane; 3,3-Dimethylpentane; 3,4-Dimethylhexane; 3-Ethylpentane; 3-Methyloctane; 4-Methylheptane; Ethylbenzene; Ethylcyclopentane; 2,6-Dimethylheptane; 3-Ethylheptane

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