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Isophorone

Description References
Isophorone
Isophorone structure
CAS No.
78-59-1
Chemical Name:
Isophorone
Synonyms
Isoforon;Izoforon;ai3-00046;Isoforone;Isophoron;FEMA 3553;NCI-C55618;ISOPHORONE;caswellno506;isooctopherone
CBNumber:
CB7743348
Molecular Formula:
C9H14O
Formula Weight:
138.21
MOL File:
78-59-1.mol

Isophorone Properties

Melting point:
−8 °C(lit.)
Boiling point:
213-214 °C(lit.)
Density 
0.923 g/mL at 25 °C(lit.)
vapor density 
4.77 (vs air)
vapor pressure 
0.2 mm Hg ( 20 °C)
refractive index 
n20/D 1.476(lit.)
FEMA 
3553 | ISOPHORONE
Flash point:
184 °F
storage temp. 
2-8°C
solubility 
14.5g/l
form 
Liquid
color 
Clear colorless to yellow
Odor
Like camphor.
explosive limit
0.8-3.8%(V)
Water Solubility 
Soluble in water (12g/L).
Merck 
14,5196
JECFA Number
1112
BRN 
1280721
Exposure limits
TLV-TWA 25 mg/m3 (5 ppm); IDLH 800 ppm.
Stability:
Stable. Substances to be avoided include strong bases, strong acids and strong oxidizing agents.
CAS DataBase Reference
78-59-1(CAS DataBase Reference)
NIST Chemistry Reference
2-Cyclohexen-1-one, 3,5,5-trimethyl-(78-59-1)
EPA Substance Registry System
2-Cyclohexen-1-one, 3,5,5-trimethyl-(78-59-1)
SAFETY
  • Risk and Safety Statements
  • Hazard and Precautionary Statements (GHS)
  • NFPA
Hazard Codes  Xn
Risk Statements  21/22-36/37-40
Safety Statements  13-23-36/37/39-46
RIDADR  UN 3082 9 / PGIII
WGK Germany  1
RTECS  GW7700000
Autoignition Temperature 864 °F
TSCA  Yes
HS Code  2914 29 00
Hazardous Substances Data 78-59-1(Hazardous Substances Data)
Toxicity LD50 in male, female rats and male mice (mg/kg): 2700 ±200, 2100 ±200, 2200 ±200 orally (PB90-180225)
Symbol(GHS):
Signal word: Warning
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H227 Combustible liquid Flammable liquids Category 4 Warning P210, P280, P370+P378, P403+P235,P501
H302 Harmful if swallowed Acute toxicity,oral Category 4 Warning P264, P270, P301+P312, P330, P501
H312 Harmful in contact with skin Acute toxicity,dermal Category 4 Warning P280,P302+P352, P312, P322, P363,P501
H319 Causes serious eye irritation Serious eye damage/eye irritation Category 2A Warning P264, P280, P305+P351+P338,P337+P313P
H335 May cause respiratory irritation Specific target organ toxicity, single exposure;Respiratory tract irritation Category 3 Warning
H336 May cause drowsiness or dizziness Specific target organ toxicity,single exposure; Narcotic effects Category 3 Warning P261, P271, P304+P340, P312,P403+P233, P405, P501
H351 Suspected of causing cancer Carcinogenicity Category 2 Warning P201, P202, P281, P308+P313, P405,P501
H402 Harmful to aquatic life Hazardous to the aquatic environment, acute hazard Category 3
Precautionary statements:
P201 Obtain special instructions before use.
P202 Do not handle until all safety precautions have been read and understood.
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P261 Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 Wash hands thoroughly after handling.
P264 Wash skin thouroughly after handling.
P270 Do not eat, drink or smoke when using this product.
P271 Use only outdoors or in a well-ventilated area.
P273 Avoid release to the environment.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313 IF exposed or concerned: Get medical advice/attention.
P370+P378 In case of fire: Use … for extinction.
P405 Store locked up.
P403+P233 Store in a well-ventilated place. Keep container tightly closed.
P501 Dispose of contents/container to..…

NFPA 704

Diamond Hazard Value Description
2
2 0
HEALTH   2 Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury (e.g. diethyl ether, ammonium phosphate, iodine)
FIRE  2 Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur and multiple finely divided suspended solids that do not require heating before ignition can occur. Flash point between 37.8 and 93.3 °C (100 and 200 °F). (e.g. diesel fuel, sulfur)
REACT   0 Normally stable, even under fire exposure conditions, and is not reactive with water (e.g. helium,N2)
SPEC. HAZ. 

(NFPA, 2010)

Isophorone price More Price(15)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich I18709 Isophorone 97% 78-59-1 5ml $19.1 2018-11-13 Buy
Sigma-Aldrich I18709 Isophorone 97% 78-59-1 1l $34.2 2018-11-13 Buy
TCI Chemical I0151 Isophorone >97.0%(GC) 78-59-1 25mL $13 2018-11-22 Buy
TCI Chemical I0151 Isophorone >97.0%(GC) 78-59-1 500mL $18 2018-11-22 Buy
Alfa Aesar A14844 Isophorone, 97% 78-59-1 250ml $14.9 2018-11-13 Buy

Isophorone Chemical Properties,Uses,Production

Description

Isophorone (chemical formula: C9H14O) has its full name being 3, 5, 5-Trimethyl-2-cyclohexen-1-one. It is a kind of α, β-unsaturated cyclic ketone, and is a flavoring ingredient existing in cranberries and saffron. Isophorone can be used as a solvent in some printing inks, paints, lacquers, adhesives, copolymers, coatings, finishings and pesticide. It can also act as an intermediate in organic synthesis as well as the ingredient in wood preservatives and floor sealants. It is mainly manufactured through the self-condensation of acetone with KOH.

References

https://en.wikipedia.org/wiki/Isophorone
https://pubchem.ncbi.nlm.nih.gov/compound/isophorone#section=Top

Chemical Properties

light yellow liquid

Uses

Isophorone is used as a solvent for vinylresins and cellulose esters, and in pesticides.

Definition

ChEBI: A cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at positions 3, 5 and 5.

Uses

Solvent in some printing inks, paints, lacquers and adhesives.

General Description

A clear colorless liquid, with a camphor-like odor. Less dense than water and insoluble in water. Boiling point 420°F. Flash point near 200°F. Contact irritates skin and eyes. Toxic by ingestion. Used as a solvent and in pesticides.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Ketones, such as Isophorone, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. Forms explosive peroxides

Hazard

Irritant to skin and eyes. Possible carcinogen.

Health Hazard

LIQUID: Irritating to skin and eyes. Harmful if swallowed.

Health Hazard

Isophorone is an irritant, moderately toxic athigh concentrations, mutagenic and possiblycarcinogenic. Inhalation of its vapors cancause mild irritation of the eyes, nose, andthroat. Exposure to 840 ppm for 4 hours resulted in severe eye irritation in guineapigs. Its irritation effect on human eyes maybe felt at 25–40 ppm. At concentrationsabove 200 ppm, it may cause irritation ofthe throat, headache, nausea, dizziness, and afeeling of suffocation (ACGIH 1986). In rats,exposure to 1840 ppm for 4 hours was fatal.Ingestion of isophorone can cause narcosis,dermatitis, headache, and dizziness.
LD50 value, oral (rats): 2330 mg/kg
Isophorone is mutagenic and when fed torats orally, 258 g/kg for 2 years, it causedkidney tumor. Its carcinogenicity on humansis not reported.

Fire Hazard

Combustible.

Fire Hazard

Flash Point (°F): 205 ℃, 184 ℃; Flammable Limits in Air (%): 0.84-3.8; Fire Extinguishing Agents: Dry chemical, foam, or carbon dioxide; Fire Extinguishing Agents Not To Be Used: Water may be ineffective; Special Hazards of Combustion Products: Not pertinent; Behavior in Fire: Not pertinent; Ignition Temperature (°F): 864; Electrical Hazard: No data; Burning Rate: 4.0 mm/min.

Chemical Reactivity

Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Industrial uses

Isophorone is an excellent solvent for cellulose esters, nitrocellulose, natural and synthetic resins. Isophorone has a very high aromatic hydrocarbon dilution ratio in nitrocellulose formulations: 5.7 for toluene and 5.1 for xylene. The excellent solvency of isophorone allows the preparation of 45% solids nitrocellulose solutions at room temperatures.

Purification Methods

Wash isophorone with aqueous 5% Na2CO3 and then distil it under reduced pressure immediately before use. Alternatively, it can be purified via the semicarbazone. [Erskine & Waight J Chem Soc 3425 1960, Beilstein 7 IV 165.]

Waste Disposal

Incineration.

Isophorone Preparation Products And Raw materials

Raw materials

Preparation Products


Isophorone Suppliers

Global( 223)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
Henan DaKen Chemical CO.,LTD.
+86-371-55531817
info@dakenchem.com CHINA 22043 58
Henan Tianfu Chemical Co.,Ltd.
0371-55170693
0371-55170693 info@tianfuchem.com CHINA 20786 55
Mainchem Co., Ltd.
+86-0592-6210733
+86-0592-6210733 sales@mainchem.com CHINA 32651 55
Hefei TNJ Chemical Industry Co.,Ltd.
86-0551-65418684 18949823763
86-0551-65418684 info@tnjchem.com China 1662 55
Hubei Jusheng Technology Co.,Ltd.
86-188-71490254
peter@hubeijusheng.com CHINA 20243 58
Haihang Industry Co.,Ltd
86-531-88032799
+86 531 8582 1093 export@haihangchem.com CHINA 4525 58
Hebei Guanlang Biotechnology Co., Ltd.
+8619930501651
breeduan@crovellbio.com CHINA 898 58
career henan chemical co
+86-371-86658258
sales@coreychem.com CHINA 19997 58
Hebei Chisure Biotechnology Co., Ltd.
+8613292893290
+8613292893290 Nancy@SpeedGainpharma.com CHINA 590 58
Shanghai Zheyan Biotech Co., Ltd.
18017610038
zheyansh@163.com CHINA 3624 58

View Lastest Price from Isophorone manufacturers

Image Release date Product Price Min. Order Purity Supply Ability Manufacturer
2018-12-25 Isophorone
78-59-1
US $1.00 / kg 1kg 95%-99% 1000kg career henan chemical co
2018-09-03 Isophorone
78-59-1
US $10.00-10.00 / G 10UG 99% 1000kg Hebei Chisure Biotechnology Co., Ltd.

Isophorone Spectrum


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