octane

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heptane, methyl-

CAS: 111-65-9 C8 H18 MW: 114.23146000
All Ingredients Aromatic Ingredients CAS Numbers EINECS Numbers Found in Nature IUPAC Names M.W Index Solvents Specific Gravity

Identification

Nameoctane
IUPACoctane
CAS Number111-65-9
EINECS203-892-1
FDA UNIIX1RV0B2FJV
Molecular FormulaC8 H18
Molecular Weight114.23146000
MDL NumberMFCD00009556
Nikkaji NumberJ10.709C
Beilstein1696875
XlogP33.90 (est)

Regulatory

Physical Properties

Appearance colorless clear liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.70300 @ 25.00 °C.
Melting Point -57.00 to -56.00 °C. @ 760.00 mm Hg
Boiling Point 125.00 to 126.00 °C. @ 760.00 mm Hg, 50.00 to 51.00 °C. @ 50.00 mm Hg
Vapor Pressure 14.157000 mmHg @ 25.00 °C. (est)
Vapor Density 3.9 ( Air = 1 )
Flash Point 60.00 °F. TCC ( 15.56 °C. )
logP (o/w) 5.180
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usessolvents

No sensory data available

Safety Information

European informationMost important hazard(s):
Oral/Parenteral Toxicityintravenous-mouse LDLo 428 mg/kg
Dermal ToxicityNot determined
Inhalation Toxicityinhalation-rat LC50 118000 mg/m3/4H

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)']

Safety in Use

Categorynatural substances and extractives
Recommendation for octane usage levels up tonot for fragrance use.
Recommendation for octane flavor usage levels up tonot for flavor use.

No supplier data available

Potential Uses

solvents

Natural Occurrence

cassie absolute @ 0.04% Data dill weed oil reunion @ trace% Data ginger rhizome ginger rhizome oil guava fruit pepper bell pepper fruit pittosporum spp. fruit oil malaysia @ 0.10% Data witch hazel leaf oil @ 0.59% Data

Synonyms

heptane, methyl- methylheptane N- octane Info: Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)