CAS 873-94-9|DIHYDROISOPHORONE|3,3,5-trimethylcyclohexan-1-one|3,3,5-trimethylcyclohexan-1-one|3,3,5-trimethylcyclohexanone|3,3,5-三甲基环己酮|3,3,5-Trimethylcyclohexanone

InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3

POSWICCRDBKBMH-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

2.3622797

LogD (pH = 7.4)

2.3622797

Log P

2.3622797

Molar Refractivity

41.8197

Polarizability

16.652328

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

3,3,5-trimethylcyclohexan-1-one

DIHYDROISOPHORONE3,3,5-trimethylcyclohexanone3,3,5-Trimethylcyclohexanone3,3,5-三甲基环己酮

3,3,5-trimethylcyclohexan-1-one

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98%

(CH3)3C6H7(=O)

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05219406

MP Biomedicals Rare Chemical collection

T75752

Packaging
1 L in glass bottle
250 mL in glass bottle

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

3,3,5-trimethylcyclohexan-1-one

Synonyms

DIHYDROISOPHORONE3,3,5-trimethylcyclohexanone3,3,5-Trimethylcyclohexanone3,3,5-三甲基环己酮

IUPAC name

3,3,5-trimethylcyclohexan-1-one

Registration numbers

CAS Number

PubChem CID

PubChem SID

Beilstein Number

EC Number

MDL Number

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

T75752

Packaging
1 L in glass bottle
250 mL in glass bottle

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

Personal Protective Equipment

GHS Precautionary statements

Certificate of Analysis

Molecule

ID:111471