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Isophorone Diisocyanate (mixture of isomers) - 99%, high purity , CAS No.4098-71-9

≥99%

CAS#: 4098-71-9
Formula: C₁₂H₁₈N₂O₂
Molecular Weight: 222.28
Beilstein Registry Number: 2726467
EC Number: 223-861-6
MDL number: MFCD00064956
PubChem CID: 169132

Item Number

I109582

Grouped product items
SKU	Size	Availability	Price
I109582-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$19.90
I109582-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$29.90
I109582-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$99.90
I109582-12×500ml	12×500ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$949.90

View related series

Imide Isocyanate Monomers Isocyanates Polymer / polymer reagent

Basic Description

Synonyms	ISOPHORONE DIISOCYANATE\|4098-71-9\|IPDI\|5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane\|Isophorone diamine diisocyanate\|Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-\|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate\|3-Is
Specifications & Purity	≥99%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice
Product Description	Isophorone diisocyanate (IPDI) is an aliphatic diisocyanate that is majorly used as a curing agent by forming −NCO linkages. It is mainly utilized in the preparation of polyurethane based films and foams for a variety of high performance coating applications. It provides UV resistant films due to the presence of the aliphatic ring. Isophorone Diisocyanate (mixture of isomers) may be used in the production of polyurethanes and coatings for automotive, flooring, roofing etc.

Associated Targets

CYP3A4 Tclin Cytochrome P450 3A4 0 Activities

Discover Target: CYP3A4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AR Tclin Androgen receptor 0 Activities

Discover Target: AR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALDH1A1 Tchem Retinal dehydrogenase 1 0 Activities

Discover Target: ALDH1A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PPARD Tchem Peroxisome proliferator-activated receptor delta 0 Activities

Discover Target: PPARD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
INCHI	InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
InChi Key	NIMLQBUJDJZYEJ-UHFFFAOYSA-N
Canonical SMILES	CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
Isomeric SMILES	CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
WGK Germany	2
RTECS	NQ9370000
PubChem CID	169132
UN Number	2290
Packing Group	III
Molecular Weight	222.28
Beilstein	2726467
Reaxy-Rn	2726467

Certificates

Certificate of Analysis(COA)

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31 results found

Lot Number	Certificate Type	Date	Item
G2417820	Certificate of Analysis	Jul 03, 2024	I109582
G2417819	Certificate of Analysis	Jul 03, 2024	I109582
G2417811	Certificate of Analysis	Jul 03, 2024	I109582
G2417812	Certificate of Analysis	Jul 03, 2024	I109582
G2429009	Certificate of Analysis	Mar 12, 2024	I109582
G2429006	Certificate of Analysis	Mar 12, 2024	I109582
D2409152	Certificate of Analysis	Mar 12, 2024	I109582
D2409078	Certificate of Analysis	Mar 12, 2024	I109582
G2429008	Certificate of Analysis	Mar 12, 2024	I109582
G2429007	Certificate of Analysis	Mar 12, 2024	I109582
D2407357	Certificate of Analysis	Mar 12, 2024	I109582
D2407358	Certificate of Analysis	Mar 12, 2024	I109582
C2409091	Certificate of Analysis	Feb 29, 2024	I109582
C2409092	Certificate of Analysis	Feb 29, 2024	I109582
C2409090	Certificate of Analysis	Feb 29, 2024	I109582
C2409088	Certificate of Analysis	Feb 29, 2024	I109582
E2317585	Certificate of Analysis	May 09, 2023	I109582
E2317635	Certificate of Analysis	May 09, 2023	I109582
E2317626	Certificate of Analysis	May 09, 2023	I109582
E2317620	Certificate of Analysis	May 09, 2023	I109582
B2328175	Certificate of Analysis	Mar 06, 2023	I109582
A2306220	Certificate of Analysis	Jan 12, 2023	I109582
G2223156	Certificate of Analysis	Jul 06, 2022	I109582
G2223157	Certificate of Analysis	Jul 06, 2022	I109582
G2223158	Certificate of Analysis	Jul 06, 2022	I109582
G2223159	Certificate of Analysis	Jul 06, 2022	I109582
A2303393	Certificate of Analysis	Jul 06, 2022	I109582
B2216417	Certificate of Analysis	Jan 07, 2022	I109582
B2216383	Certificate of Analysis	Jan 07, 2022	I109582
B2216382	Certificate of Analysis	Jan 07, 2022	I109582
B2216381	Certificate of Analysis	Jan 07, 2022	I109582

Chemical and Physical Properties

Solubility	Miscible with esters, ketones, ethers, and aromatic and aliphatic hydrocarbons.
Sensitivity	Heat & Moisture Sensitive.
Refractive Index	1.484
Flash Point(°F)	163℃
Flash Point(°C)	163℃
Boil Point(°C)	158-159°C
Melt Point(°C)	-60°C(lit.)

Safety and Hazards(GHS)

Pictogram(s)	GHS06, GHS08, GHS09, GHS07
Signal	Danger
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H331:Toxic if inhaled H411:Toxic to aquatic life with long lasting effects H317:May cause an allergic skin reaction H334:May cause allergy or asthma symptoms or breathing difficulties if inhaled
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P284:[In case of inadequate ventilation] Wear respiratory protection. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P272:Contaminated work clothing should not be allowed out of the workplace. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. P362+P364:Take off contaminated clothing and wash it before reuse. P391:Collect spillage. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P316:Get emergency medical help immediately. P319:Get medical help if you feel unwell. P342+P316:If experiencing respiratory symptoms: Get emergence medical help immediately.
WGK Germany	2
RTECS	NQ9370000
Reaxy-Rn	2726467
Class	6.1

Alternative Products

References

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56. Sungjun Hong,Jaesung Park,Ji Eun Kim,Daehwan Park,Seulgi Kim,Jeong Yi Kang,Jin Yong Lee,Woo Jin Hong,Hyanghwa Jeon,Ho Lee,Jin Woong Kim. (2019-05-11) Fabrication of cell membrane-adhesive soft polymeric nanovehicles for noninvasive visualization of epidermal-dermal junction-targeted drug delivery.. International journal of pharmaceutics, 565 (233-241). [PMID:31075439]
57. Zongren Li,Tao Wang,Dong Xu,Jie Zuo,Xinyu Li,Zhiwei Li,Fei Xu,Xingyuan Zhang. (2019-05-12) Modulation of Thermally Activated Delayed Fluorescence in Waterborne Polyurethanes via Charge-Transfer Effect.. Chemistry, an Asian journal, 14 ((13)): (2302-2308). [PMID:31077557]
58. Zhangzhe Zhou,Yimeng Wang,Yuqing Qian,Xiangqiang Pan,Jian Zhu,Zhengbiao Zhang,Zhonglai Qian,Zhiyong Sun,Bin Pi. (2019-11-21) Cystine dimethyl ester cross-linked PEG-poly(urethane-urea)/nano-hydroxyapatite composited biomimetic scaffold for bone defect repair.. Journal of biomaterials science. Polymer edition, 31 ((3)): (407-422). [PMID:31747530]
59. Aqdas Noreen,Khalid Mahmood Zia,Shazia Tabasum,Waseem Aftab,Muhammad Shahid,Mohammad Zuber. (2019-11-24) Hydroxyethylcellulose-g-poly(lactic acid) blended polyurethanes: Preparation, characterization and biological studies.. International journal of biological macromolecules, 151 (993-1003). [PMID:31758988]
60. Eyob Wondu,Hyun Woo Oh,And Jooheon Kim. (2019-11-27) Effect of DMPA and Molecular Weight of Polyethylene Glycol on Water-Soluble Polyurethane.. Polymers, 11 ((12)): [PMID:31766317]

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