8.14442

3,3,5-Trimethylcyclohexanol

(mixture of cis- and trans- isomers) for synthesis

• Synonym(s): 3,3,5-Trimethylcyclohexanol, Homomenthol, Dihydroisophorol
• Empirical Formula (Hill Notation): C₉H₁₈O
• CAS Number: 116-02-9
• Molecular Weight: 142.24
• MDL number: MFCD00019378
• UNSPSC Code: 12352104
• EC Index Number: 204-122-7

Properties

• vapor pressure: 1 hPa ( 50 °C)
• form: crystals
• autoignition temp.: 375 °C (DIN 51794)
• potency: 3250 mg/kg LD₅₀, oral (Rat); 2430 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.5 % (v/v)
• pH: 7 (20 °C, 1.8 g/L in H₂O)
• bp: 193-196 °C/1013 hPa
• mp: 30-32 °C
• transition temp: flash point 81 °C (DIN 51758)
• solubility: 1.8 g/L
• density: 0.86 g/cm³ at 60 °C
• storage temp.: 2-30°C
• SMILES string: OC1CC(CC(C)(C1)C)C
• InChI: 1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
• InChI key: BRRVXFOKWJKTGG-UHFFFAOYSA-N

Description

Analysis Note

Assay isomers (GC, area%): ≥ 98.0 % (a/a)
Melting range (lower value): ≥ 28 °C
Melting range (upper value): ≤ 33 °C
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H315 - H318
• Precautionary Statements: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P362 + P364
• Hazard Classifications: Eye Dam. 1 - Skin Irrit. 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(C): 88 °C - open cup