6-叔丁基-1,1-二甲基茚满-4-基甲基酮

Description

4-Acetyl-6-t-butyl-1,1-dimethylindane is identified by CAS 13171-00-1, molecular formula C17H24O and molecular weight 244.18 g/mol. UNII E1HM68Q21P; ChEBI 172483; InChIKey IKTHMQYJOWTSJO-UHFFFAOYSA-N. Boiling Point: BP: 304.5 °C at 101.325 kPa; Melting Point: 78.5 °C; Melting Point: 77.2 - 77.9 °C.

Identification

CAS Registry Number	13171-00-1
PubChem CID	61585
Molecular formula	C17H24O
Molecular weight	244.18 g/mol
IUPAC name	1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone
InChIKey	IKTHMQYJOWTSJO-UHFFFAOYSA-N
UNII (FDA)	E1HM68Q21P
ChEBI ID	CHEBI:172483
FEMA number	3653
JECFA number	812

Computed Descriptors

Molecular Weight	244.37
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	244.182715385
Monoisotopic Mass	244.182715385
Topological Polar Surface Area	17.1
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

Boiling Point	BP: 304.5 °C at 101.325 kPa
Melting Point	78.5 °C
Melting Point	77.2 - 77.9 °C
Solubility	In water, 0.015 mg/L
Solubility	In water, 3.29 mg/L at 24 °C
Density	1.06 at 21 °C
Vapor Pressure	VP: 0.05 Pa at 21 °C (3.75X10-3 mm Hg)
Vapor Pressure	1.50X10-4 mm Hg (0.020 Pa)
LogP	log Kow = 5.7

Physical description & handling notes

• Solid
• almost white crystals with a musky, sweet, animal odour
• Almost white crystals
• Musky, sweet, animal odor
• Solvent-like with a dirty, musty brown, earthy nuance
• Insoluble in water

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Floral
GHS notification summary	99.5% (1545 / 1553)

GHS Hazard Classification

GHS notification summary	99.5% (1545 / 1553)

Documented Uses

• Musk fragrance ... used for perfuming soap and cosmetics.
• Flavoring Agents -> JECFA Flavorings Index
• Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-: ACTIVE
• A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell, especially a fluid containing fragrant natural oils extracted from flowers, woods, etc., or similar synthetic oils. (Random House Unabridged Dictionary, 2d ed)

Synonyms

CELESTOLIDE; 13171-00-1; 4-Acetyl-6-tert-butyl-1,1-dimethylindane; FEMA No. 3653; DTXSID9044536; Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-; acetyl tert-butyl dimethylindan; 4-Acetyl-6-butyl-1,1-dimethylindane; 6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone; Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl; E1HM68Q21P; DTXCID7024536; 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethan-1-one; Ethanone, 1-(6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)-; 1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone; RefChem:124289

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Acetyl-6-t-butyl-1,1-dimethylindane?

CAS 13171-00-1; molecular formula C17H24O; molecular weight 244.18 g/mol.

What other names is 4-Acetyl-6-t-butyl-1,1-dimethylindane known by?

CELESTOLIDE, 13171-00-1, 4-Acetyl-6-tert-butyl-1,1-dimethylindane, FEMA No. 3653, DTXSID9044536, Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-.

What is the regulatory status of 4-Acetyl-6-t-butyl-1,1-dimethylindane?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents; Floral.

Is 4-Acetyl-6-t-butyl-1,1-dimethylindane classified as hazardous?

99.5% of GHS notifications report no hazard classification (1545 of 1553).

What are the key physical properties of 4-Acetyl-6-t-butyl-1,1-dimethylindane?

Boiling Point: BP: 304.5 °C at 101.325 kPa; Melting Point: 78.5 °C; Melting Point: 77.2 - 77.9 °C; Solubility: In water, 0.015 mg/L.

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.