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87977-28-4 | IODOPROPYNYL BUTYLCARBAMATE
CAS No: 87977-28-4 Catalog No: AG004LMJ MDL No:
Product Description
Catalog Number:
AG004LMJ
Chemical Name:
IODOPROPYNYL BUTYLCARBAMATE
CAS Number:
87977-28-4
Molecular Formula:
C8H12INO2
Molecular Weight:
281.0908
IUPAC Name:
3-iodoprop-1-ynyl N-butylcarbamate
InChI:
InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,5-6H2,1H3,(H,10,11)
InChI Key:
DNKGZSOYWMQDTK-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)OC#CCI
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.991g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.093g/mol
Monoisotopic Mass:
280.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Risk of sensitization to preservatives estimated on the basis of patch test data and exposure, according to a sample of 3541 leave-on products. | Contact dermatitis 20110901 |
| Contact-allergic reactions to cosmetics. | Journal of allergy 20110101 |
| Formation and stability of oil-in-water nanoemulsions containing rice bran oil: in vitro and in vivo assessments. | Journal of nanobiotechnology 20110101 |
| Positive patch-test reactions to iodopropynyl butylcarbamate: retrospective analysis of North American contact dermatitis group data, from 1998 to 2008. | Dermatitis : contact, atopic, occupational, drug 20100101 |
| Shampoos. | Dermatitis : contact, atopic, occupational, drug 20090101 |
| Analysis of allergens in metalworking fluids. | Contact dermatitis 20081101 |
| Moisturizer allergy: diagnosis and management. | The Journal of clinical and aesthetic dermatology 20081101 |
| Allergic contact dermatitis to iodopropynyl butylcarbamate found in a cosmetic cleansing wipe. | Contact dermatitis 20080501 |
| Iodopropynyl butylcarbamate contact allergy from wood preservative. | Contact dermatitis 20070201 |
| Patch test results with the metalworking fluid series of the German Contact Dermatitis Research Group (DKG). | Contact dermatitis 20040901 |
| The sensitizing potential of iodopropynyl butylcarbamate in the local lymph node assay. | Contact dermatitis 20040101 |
| [Anal and palmar contact dermatitis caused by iodopropynyl butylcarbamate in moist sanitary wipes]. | Der Hautarzt; Zeitschrift fur Dermatologie, Venerologie, und verwandte Gebiete 20031001 |
| [Epidemiologic surveillance of contact allergens. The 'monitoring series' of IVDK (Information Network ofDermatologic Clinics for Detection and Scientific Evaluation of Contact Allergy]. | Der Hautarzt; Zeitschrift fur Dermatologie, Venerologie, und verwandte Gebiete 20030801 |
| North American Contact Dermatitis Group patch-test results, 1998 to 2000. | American journal of contact dermatitis : official journal of the American Contact Dermatitis Society 20030601 |
| Iodopropynyl butylcarbamate as a preservative. | American journal of contact dermatitis : official journal of the American Contact Dermatitis Society 20021201 |
| Iodopropynyl butylcarbamate. | American journal of contact dermatitis : official journal of the American Contact Dermatitis Society 20020601 |
| The preservative iodopropynyl butylcarbamate: frequency of allergic reactions and diagnostic considerations. | Contact dermatitis 20020301 |
| Rapid quantification of iodopropynyl butylcarbamate as the preservative in cosmetic formulations using high-performance liquid chromatography-electrospray mass spectrometry. | Journal of pharmaceutical and biomedical analysis 20010701 |
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