CAS number
1653-40-3

Molecular formula
C8H18O

SMILES
CC(C)CCCCCO

Retention indicies (RI)

• Carbowax: 1516.0

oily	68.05%
green	61.12%
sweet	55.55%
floral	54.55%
herbal	51.54%
fatty	46.17%
fresh	45.5%
rose	43.3%
fermented	42.09%
musty	41.92%

Scent© AI

XLogP3-AA
2.8 Well soluble in DEP, BB, MMB

Molecular weight
130.23 g/mol

Melting points

• less than 212 °F (USCG, 1999)
• -106 °C
• <212 °F
• <-105 °F

Boiling points

• 367 °F at 760 mmHg (USCG, 1999)
• 188 °C; 95.8 °C at 20 atm
• 367 °F

Flash points

• 180 °F (USCG, 1999)
• 82 °C
• 180 °F (82 °C) (Open cup)
• 180 °F (open-cup)
• (oc) 180 °F

Solubilities

• Insoluble (NIOSH, 2024)
• Soluble in ethanol, ether
• In water, 640 mg/L at 25 °C
• Insoluble

• 6-METHYL-1-HEPTANOL
• 1653-40-3
• 6-METHYLHEPTAN-1-OL
• Isooctanol
• 1-Heptanol, 6-methyl-
• ISOOCTYL ALCOHOL
• 26952-21-6
• 6-Methylheptanol
• 6-Methylheptanol (90per cent)
• 6-methyl-heptan-1-ol
• MFCD00060842
• 6-Methylheptanol (90%)
• IJF7D6C38T
• 91994-92-2
• 6-Methyl-1-heptyl Alcohol (unlabelled)
• METHYL HEPTANOL
• UNII-IJF7D6C38T
• isooctanols
• EINECS 271-231-4
• EINECS 271-361-1
• 40742-11-8
• EC 271-231-4
• SCHEMBL26877
• MHN
• QSPL 119
• CHEBI:44009
• DTXSID50872375
• EINECS 255-061-8
• STL453649
• AKOS006273543
• Titanium(4+) 6-methylheptan-1-olate
• FM25849
• AS-44335
• DA-36043
• DB-254971
• CS-0210352
• NS00008167
• A10851
• EN300-219548
• Q27280756
• Z1198149583