2,2-dimethyl hexane

2,2-dimethylhexane

CAS: 590-73-8 C8 H18 MW: 114.23146000

Identification

Name2,2-dimethyl hexane
IUPAC2,2-dimethylhexane
CAS Number590-73-8
EINECS209-689-4
FDA UNIIG1EH35W01H
Molecular FormulaC8 H18
Molecular Weight114.23146000
MDL NumberMFCD00009485
Nikkaji NumberJ43.422A
Beilstein1696861

Regulatory

DG SANTE Food Flavourings01.033 2,2-dimethylhexane

Physical Properties

Appearance colorless clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.69300 to 0.69900 @ 25.00 °C.
Pounds per Gallon - (est). 5.766 to 5.816
Refractive Index 1.39000 to 1.39600 @ 20.00 °C.
Melting Point -12.10 °C. @ 760.00 mm Hg
Boiling Point 106.00 to 107.00 °C. @ 760.00 mm Hg
Vapor Pressure 34.000000 mmHg @ 25.00 °C.
Flash Point 26.00 °F. TCC ( -3.33 °C. )
logP (o/w) 4.529 (est)
Soluble in alcohol
Insoluble in water

No sensory data available

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for 2,2-dimethyl hexane usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)1.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)3900 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)7.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)5.00000
Edible ices, including sherbet and sorbet (03.0)10.00000
Processed fruit (04.1)7.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)10.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)5.00000
Bakery wares (07.0)10.00000
Meat and meat products, including poultry and game (08.0)2.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)2.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)5.00000
Foodstuffs intended for particular nutritional uses (13.0)10.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)5.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)10.00000
Ready-to-eat savouries (15.0)20.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)5.00000

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Potential Uses

None Found

Natural Occurrence

tea - up to 0.90 mg/kg

Synonyms

2,2- dimethylhexane hexane, 2,2-dimethyl- PubMed: A general and efficient Monte Carlo method for sampling intramolecular degrees of freedom of branched and cyclic molecules. PubMed: On the use of excess entropy scaling to describe single-molecule and collective dynamic properties of hydrocarbon isomer fluids. PubMed: Towards the second generation of Boceprevir: Dithianes as an alternative P2 substituent for 2,2-dimethyl cycloproyl proline in HCV NS3 protease inhibitors. PubMed: Supercritical fluid extraction and high performance liquid chromatographic determination of benzopyrans and phloroglucinol derivative in Hypericum polyanthemum. PubMed: Antibacterial and antifungal activity of Flindersine isolated from the traditional medicinal plant, Toddalia asiatica (L.) Lam. PubMed: Isolation of secondary metabolites from Hortia oreadica (Rutaceae) leaves through high-speed counter-current chromatography. PubMed: 4-(4-Methoxy-phen-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetra-hydrochromene-2,5-dione. PubMed: Anthraquinones from the fruits of Vismia laurentii. PubMed: Final report on the safety assessment of capsicum annuum extract, capsicum annuum fruit extract, capsicum annuum resin, capsicum annuum fruit powder, capsicum frutescens fruit, capsicum frutescens fruit extract, capsicum frutescens resin, and capsaicin. PubMed: Synthesis of nucleoside analogues bearing the five naturally occurring nucleic acid bases built on a 2-oxabicylo[3.1.0]hexane scaffold. PubMed: Corona chemistry in Titan. PubMed: GC-MS analysis of methamphetamine impurities: reactivity of (+)- or (-)-chloroephedrine and cis- or trans-1,2-dimethyl-3-phenylaziridine. PubMed: Validated high-performance liquid chromatographic methods for quantitation of a novel nonsteroidal antiestrogen. PubMed: Corona discharge of Titan's troposphere. PubMed: Gas-liquid chromatographic determination of chlordimeform and its metabolites in cargo rice and husk.