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ChemicalBook >> CAS DataBase List >>3,3,5-Trimethylcyclohexanone

3,3,5-Trimethylcyclohexanone

3,3,5-Trimethylcyclohexanone Structure
3,3,5-Trimethylcyclohexanone structure
CAS No.
873-94-9
Chemical Name:
3,3,5-Trimethylcyclohexanone
Synonyms
3,3,5-trimethylcyclohexan-1-one;Cyclohexanone, 3,3,5-trimethyl-;DIHYDROISOPHORONE;3,5,5-Triethylcyclohexanone;3,3,5-trimethyl-cyclohexanon;3,3,5-TRIMETHYLCYCLOHEXANONE;3,5,5-TRIMETHYL CYCLOHEXANONE;3,3,5-trimethyi-cyclohexanone;3,3,5-Trimethylcyclohexan-1-on;3,3,5-Trimethyl-1-cyclohexanone
CBNumber:
CB8435309
Molecular Formula:
C9H16O
Molecular Weight:
140.22
MDL Number:
MFCD00019466
MOL File:
873-94-9.mol
MSDS File:
SDS
Last updated:2026-05-28 05:18:55
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3,3,5-Trimethylcyclohexanone Properties

Melting point -10 °C (lit.)
Boiling point 188-192 °C (lit.)
Density 0.887 g/mL at 25 °C (lit.)
vapor pressure 60-133.36Pa at 20-30.99℃
refractive index n20/D 1.445(lit.)
FLAVIS Number 07.203 | 3,3,5-Trimethylcyclohexan-1-one
Flash point 150 °F
storage temp. Sealed in dry,Room Temperature
solubility 30g/l
form clear liquid
color Colorless to Almost colorless
Specific Gravity 0.889
explosive limit 1.1%(V)
Water Solubility 13 g/L (20 ºC)
BRN 507452
InChI 1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
InChIKey POSWICCRDBKBMH-UHFFFAOYSA-N
SMILES CC1CC(=O)CC(C)(C)C1
LogP 2.2-2.6 at 25℃
CAS DataBase Reference 873-94-9(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII QXG9U7N202
NIST Chemistry Reference Cyclohexanone, 3,3,5-trimethyl-(873-94-9)
EPA Substance Registry System Cyclohexanone, 3,3,5-trimethyl- (873-94-9)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319-H335
Precautionary statements  P261-P264-P271-P280-P304+P340+P312-P305+P351+P338
target organs Respiratory system
PPE Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xi
Risk Statements  37/38-41-36/37/38-36/37
Safety Statements  26-39-28A
WGK Germany  1
RTECS  GW2185000
TSCA  TSCA listed
HS Code  29142200
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
STOT SE 3
REACH Registrations Active
NFPA 704
2
2 0

3,3,5-Trimethylcyclohexanone price More Price(25)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich T75752 3,3,5-Trimethylcyclohexanone 98% 873-94-9 250ml $42.7 2026-04-30 Buy
Sigma-Aldrich T75752 3,3,5-Trimethylcyclohexanone 98% 873-94-9 1l $130 2026-04-30 Buy
TCI Chemical T0602 3,3,5-Trimethylcyclohexanone >98.0%(GC) 873-94-9 25mL $19 2026-04-30 Buy
TCI Chemical T0602 3,3,5-Trimethylcyclohexanone >98.0%(GC) 873-94-9 500mL $54 2026-04-30 Buy
TRC TRC-T235866-500MG 3,3,5-Trimethylcyclohexanone 873-94-9 500mg $91 2026-06-03 Buy
Product number Packaging Price Buy
T75752 250ml $42.7 Buy
T75752 1l $130 Buy
T0602 25mL $19 Buy
T0602 500mL $54 Buy
TRC-T235866-500MG 500mg $91 Buy

3,3,5-Trimethylcyclohexanone Chemical Properties, Uses, Production

Chemical Properties

Colorless oily liquid. B.P. 167°C. Very slightly soluble in water, soluble in alcohol and oils.

Uses

3,3,5-Trimethylcyclohexanone is used as a raw material for chemical syntheses e,g. monomer for specialty polycarbonate (Apec®); peroxides used as polymerization initiator. It is also used in coatings and paints to provide improved leveling, gloss and surface finish.

Uses

3,3,5-Trimethylcyclohexanone is used as a reactant in the selective catalytic hydrogenation of organic compounds in supercritical fluids.

Preparation

3,3,5-Trimethylcyclohexanone is produced by catalytic hydrogenation of iso-Phorone.

Synthesis Reference(s)

The Journal of Organic Chemistry, 43, p. 4647, 1978 DOI: 10.1021/jo00418a024
Synthetic Communications, 15, p. 759, 1985 DOI: 10.1080/00397918508063869
Tetrahedron Letters, 29, p. 5471, 1988 DOI: 10.1016/S0040-4039(00)80789-3

Flammability and Explosibility

Not classified

Synthesis

Isophorone

78-59-1

3,3,5-Trimethylcyclohexanone

873-94-9

GENERAL METHODS: Under standard hydrogenation reaction conditions, 0.015 g of catalyst was dissolved with 2 mmol of isophorone in 10 mL of ethanol. The reaction process was monitored by thin layer chromatography (TLC). After complete conversion of the isophorone, the catalyst was removed by simple filtration and the solvent was subsequently evaporated under reduced pressure to obtain pure 3,3,5-trimethylcyclohexanone.

References

[1] Tetrahedron, 1994, vol. 50, # 4, p. 973 - 978
[2] Chemical Communications, 2005, # 25, p. 3207 - 3209
[3] Green Chemistry, 2011, vol. 13, # 5, p. 1133 - 1137
[4] RSC Advances, 2013, vol. 3, # 36, p. 15608 - 15612

3,3,5-Trimethylcyclohexanone Preparation Products And Raw materials

Raw materials

3,3,5-Trimethylcyclohexanol Isophorone Hydrogen Ethanol

Preparation Products

3,5,5-Trimethyl-2-cyclohexen-1-ol Bisphenol TMC 3,5,5-Trimethylcyclohexane-1,2-dione 3,3,5-Trimethylcyclohexanol Cyclohexanol, 1-ethynyl-3,3,5-trimethyl-

3,3,5-Trimethylcyclohexanone Suppliers

Global Suppliers ( 188)
Supplier Tel Email Country ProdList Advantage
Shanghai Taijilin Industrial Co., Ltd. 02150630626 17717886015 kate@tajilin.com China 1341 58
Minglong (Xianning) Pharmaceutical Co., LTD 186-7296-9259 18771307593 3919539926@qq.com China 4254 58
Wuhan Smike Biotechnology Co., Ltd. 18186154374 2070983007@qq.com China 5000 58
Hubei Chuanhe Chemical Co., Ltd 187-7130-7593 18672969259 3919539926@qq.com China 2624 58
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
TCI (Shanghai) Development Co., Ltd. 021-67121386 Sales-CN@TCIchemicals.com China 24512 81
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44850 61
Sichuan Kulinan Technology Co., Ltd 400-1166-196 18981987031 cdhxsj@163.com China 11674 57
RYSS TECH LTD 400-188-0725 +86 21 34310725 13611771617 China 1999 57
Tianjin heowns Biochemical Technology Co., Ltd. 400 638 7771 sales@heowns.com China 14412 57
Supplier Advantage
Shanghai Taijilin Industrial Co., Ltd. 58
Minglong (Xianning) Pharmaceutical Co., LTD 58
Wuhan Smike Biotechnology Co., Ltd. 58
Hubei Chuanhe Chemical Co., Ltd 58
J & K SCIENTIFIC LTD. 76
TCI (Shanghai) Development Co., Ltd. 81
Energy Chemical 61
Sichuan Kulinan Technology Co., Ltd 57
RYSS TECH LTD 57
Tianjin heowns Biochemical Technology Co., Ltd. 57

View Latest Price from 3,3,5-Trimethylcyclohexanone manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3,3,5-Trimethylcyclohexanone pictures 2025-01-01 3,3,5-Trimethylcyclohexanone
873-94-9
 1kg 99% Capot Chemical Co.,Ltd.
3,3,5-Trimethylcyclohexanone pictures 2019-07-06 3,3,5-Trimethylcyclohexanone
873-94-9
 $1.00 1KG 95%-99% 1000kg Career Henan Chemical Co

3,3,5-Trimethylcyclohexanone Spectrum

3,3,5-Trimethylcyclohexanone(873-94-9)MS3,3,5-Trimethylcyclohexanone(873-94-9)1HNMR3,3,5-Trimethylcyclohexanone(873-94-9)13CNMR3,3,5-Trimethylcyclohexanone(873-94-9)IR13,3,5-Trimethylcyclohexanone(873-94-9)Raman

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3,3,5-trimethyl-cyclohexanon 3,5,5-Triethylcyclohexanone 3,5,5-TRIMETHYL CYCLOHEXANONE 3,3,5-TRIMETHYLCYCLOHEXANONE DIHYDROISOPHORONE 3,3,5-Trimethylcyclohexan-1-on 3,3,5-TRIMETHYLCYCLOHEXANONE 98+% 1,5,5-Trimethylcyclohexane-3-one 3,3,5-Trimethyl-1-cyclohexanone 3,3,5-Trimethylcyclohexanone,97% 3,3,5-TRIMETHYLCYCLOHEXANONE FOR SYNTHES 3,3,5-trimethyi-cyclohexanone 3,3,5-Trimethylcyclohexanone (TMCON) 3,3,5-trimethylcyclohexan-1-one Cyclohexanone, 3,3,5-trimethyl- 873-94-9 973-94-9 C9H16O KETONE Organic Building Blocks Ketones Carbonyl Compounds C9 Building Blocks Building Blocks Carbonyl Compounds Chemical Synthesis Organic Building Blocks C9 Carbonyl Compounds Ketones