4-Acetyl-6-t-butyl-1,1-dimethylindane

Name: 4-Acetyl-6-t-butyl-1,1-dimethylindane
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160465

CAS 13171-00-1C17H24OMW 244.18 g/mol

4-Acetyl-6-t-butyl-1,1-dimethylindane (CAS 13171-00-1) — formula C17H24O, molecular weight 244.18 g/mol.

Specifications

CAS Number13171-00-1

Molecular FormulaC17H24O

Molecular Weight244.18 g/mol

Melting Point78.5 °C

Boiling PointBP: 304.5 °C at 101.325 kPa

LogPlog Kow = 5.7

Purchase Profile

What this product is

4-Acetyl-6-t-butyl-1,1-dimethylindane is a chemical compound with CAS registry number 13171-00-1 and molecular formula C17H24O (molecular weight 244.18 g/mol).

Identification

CAS number: 13171-00-1

Its molecular formula C17H24O comprises 17 C, 24 H, 1 O atoms.

Also known as: 4-Acetyl-6-t-butyl-1,1-dimethylindane · 6-tert-butyl-1,1-dimethylindan-4-yl methyl ketone

Frequently Asked Questions

What is the CAS number of 4-Acetyl-6-t-butyl-1,1-dimethylindane?

The CAS registry number of 4-Acetyl-6-t-butyl-1,1-dimethylindane is 13171-00-1.

What is the molecular formula and molecular weight of 4-Acetyl-6-t-butyl-1,1-dimethylindane?

Molecular formula C17H24O, molecular weight 244.18 g/mol.

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

It is also registered under: 4-Acetyl-6-t-butyl-1,1-dimethylindane, 6-tert-butyl-1,1-dimethylindan-4-yl methyl ketone.

PubChem Public Data

Public-database records for 4-Acetyl-6-t-butyl-1,1-dimethylindane (CAS 13171-00-1), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	99.5% (1545 / 1553)

This chemical does not meet GHS hazard criteria for 99.5% (1545 of 1553) of all reports.

Reported as not meeting GHS hazard criteria by 1545 of 1553 companies (only 0.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Regulatory listings

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

Physical description and 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

Reported physical properties

沸点	BP: 304.5 °C at 101.325 kPa
熔点	78.5 °C
熔点	77.2 - 77.9 °C
溶解度	In water, 0.015 mg/L
溶解度	In water, 3.29 mg/L at 24 °C
密度	1.06 at 21 °C
蒸气压	VP: 0.05 Pa at 21 °C (3.75X10-3 mm Hg)
蒸气压	1.50X10-4 mm Hg (0.020 Pa)
LogP	log Kow = 5.7

How this substance is indexed

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

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)

Names this substance appears under

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

Computed molecular descriptors

分子量	244.37
XLogP3	5
氢键供体数	0
氢键受体数	1
可旋转键数	2
精确质量	244.182715385
单同位素质量	244.182715385
拓扑极性表面积	17.1
重原子数	18
形式电荷	0

Database abstract

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. 沸点: BP: 304.5 °C at 101.325 kPa; 熔点: 78.5 °C; 熔点: 77.2 - 77.9 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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