6-甲基庚醇

Description

6-Methylheptanol · CAS 1653-40-3 · C8H18O. UNII IJF7D6C38T. Boiling Point: 367 °F at 760 mmHg (USCG, 1999); Boiling Point: 188 °C; 95.8 °C at 20 atm; Boiling Point: 367 °F.

Identification

CAS Registry Number	1653-40-3
PubChem CID	15450
Molecular formula	C8H18O
IUPAC name	6-methylheptan-1-ol
UNII (FDA)	IJF7D6C38T

Computed Descriptors

Molecular Weight	130.23
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	130.135765193
Monoisotopic Mass	130.135765193
Topological Polar Surface Area	20.2
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	367 °F at 760 mmHg (USCG, 1999)
Boiling Point	188 °C; 95.8 °C at 20 atm
Boiling Point	367 °F
Melting Point	-106 °C
Melting Point	<212 °F
Melting Point	<-105 °F
Flash Point	180 °F (USCG, 1999)
Flash Point	82 °C
Flash Point	180 °F (82 °C) (Open cup)
Flash Point	(oc) 180 °F

Physical description & handling notes

• Isooctyl alcohol appears as a clear colorless liquid with a faint pleasant odor. Flash point 180 °F. Less dense than water and insoluble in water. Vapors are heavier than air. Used as a solvent, in the making of cutting and lubricating oils, in hydraulic fluids, and in the production of other chemicals.
• Clear, colorless liquid; [NIOSH]
• Clear, colorless liquid with a faint, pleasant odor.
• Clear, colorless liquid.
• Mild
• less than 212 °F (USCG, 1999)

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
GHS notification summary	27.5% (109 / 397)

GHS Hazard Classification

GHS notification summary	27.5% (109 / 397)
Reported hazard statements	H302 (66.8%), H315 (67.5%), H319 (65%), H335 (27%), H336 (26.4%), H412 (27.5%), H411 (50%), H227 (50%)

Documented Uses

• Used in plasticizers and in organic synthesis; Also used in resin solvents, emulsifiers, and antifoaming agents; [Hawley]
• Plastic Composites Manufacturing [Category: Industry]
• Ingredient of plasticizers, intermediate for nonionic detergents and surfactants, synthetic drying oils, cutting and lubricating oils, hydraulic fluids; resin solvents; emulsifiers; antifoaming agent; intermediate for introducing the isooctyl group into other cmpd.
• Branched C16 alcohols, also known as isohexadecyl alcohol or C16 oxo alcohols, are prepared by the oxo process and by aldol-like condensation of isooctyl alcohol and subsequent hydrogenation.
• The principal use of these alcohols is in preparing plasticizers, mainly diisoctyl phthalate, but also esters of adipic, sebacic, azelaic, and trimellitic acids. Isooctyl alcohol is also used as a solvent for fats, oils, and waxes, as well as various rubber formulations ...
• Isooctyl alcohols or isooctanols are ... made by the oxo process in which heptenes are reacted with carbon monoxide and hydrogen in the presence of a catalyst, followed by hydrogenation.

Synonyms

Isooctan-1-ol; RefChem:791998; 6-METHYL-1-HEPTANOL; 1653-40-3; 6-METHYLHEPTAN-1-OL; Isooctanol; 1-Heptanol, 6-methyl-; ISOOCTYL ALCOHOL; 26952-21-6; 6-Methylheptanol; MFCD00060842; 6-Methylheptanol (90per cent); 6-methyl-heptan-1-ol; 6-Methylheptanol (90%); IJF7D6C38T; 91994-92-2

Frequently Asked Questions

What are the CAS number and molecular formula of 6-Methylheptanol?

CAS 1653-40-3; molecular formula C8H18O; molecular weight — g/mol.

What other names is 6-Methylheptanol known by?

Isooctan-1-ol, RefChem:791998, 6-METHYL-1-HEPTANOL, 1653-40-3, 6-METHYLHEPTAN-1-OL, Isooctanol.

What is the regulatory status of 6-Methylheptanol?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is 6-Methylheptanol classified as hazardous?

27.5% of GHS notifications report no hazard classification (109 of 397).

What are the key physical properties of 6-Methylheptanol?

Boiling Point: 367 °F at 760 mmHg (USCG, 1999); Boiling Point: 188 °C; 95.8 °C at 20 atm; Boiling Point: 367 °F; Melting Point: -106 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.