ChIN's Summary Page: MSDS of 3-hydroxy propanal (C3H6O2, 2134-29-4) and UV spectra sources
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MSDS of 3-hydroxy propanal (C3H6O2, 2134-29-4) and UV spectra sources

[Question]
     From: Judith Currano
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Friday, January 31, 2003, 12:36:26 AM
Subject: Two questions.

Greetings from snow-bedecked Philadelphia!

I have two questions this morning.

1) I have two students who are looking for a materials safety data sheet
for 3-hydroxy propanal, C3H6O2, 2134-29-4. In the absence of an MSDS,
the students would be content with any published safety and hazards data
about the compound. I cannot find this information, nor can I locate an
MSDS. In fact, I don't believe the compound to be commercially
available. I have looked for an MSDS on all of the MSDS sources online
with which I am familiar, and I've searched Bretherick's and Sax's.

Does anyone know where I can find this information?

2) I have discovered that my reference collection is lacking a good
UV-VIS spectral atlas. Does anyone have a recommendation of a good
one(s) that I can buy?

Thanks so much!

Judith

[Answers or Clues]
     From: Robert Buntrock
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Friday, January 31, 2003, 3:09:39 AM
Subject: Two questions.

Judy:

Greetings form misty Central Minnesota (so you have all of our snow!).

Have you checked this compound (1,3-propylene glycol) in CAS REG on
STN? The locator field would indicate MSDS or RTECS availability. Even
the latter would have to be a more recent listing because my ancient
(1978) hard copy of RTECS only shows data 1,3-PG derivatives, not the
compound itself. The Merck Index listing (12th Ed.) is very terse and
only gives minimal physicochemical properties, no bio/tox.

The compound is available from Aldrich and a reference to "Safety" is
given as well as an RTECS number so there must be a current listing.
Most MSDS sheets extract info and data from the likes of RTECS anyway so
if there is data, it might be sufficient (although HSDB would be even
better, although less likely available).

I've never tried it, but MSDS for at least some compounds are available
through ChemWeb (I believe from Cornell?).

If this info or data is insufficient the only remedy is to run a tox
search, by CASRN, using files on STN. After the data files (RTECS, HSDB
if available), search the CA, MEDLINE, BIOSIS, EMBASE, and TOXCENTER
files for "toxicity" info (a rather broad profile can be developed).
Eliminate duplicates, and screen the results. Of course raw data may
not be available in the abstracts, so consulting the original references
may be necessary.

************************
From: Shobe, Dave
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Friday, January 31, 2003, 4:30:58 AM
Subject: Two questions.

Re 1,3-propylene glycol:
I think she meant the corresponding hydroxy aldehyde. Only one letter
difference: propanAl vs. propanOl. That's one of the bad things about our
chemical nomenclature--it's not an "error detecting" code the way the CAS
registry numbers (with that "extra" final digit) are.

--David Shobe
S黡-Chemie Inc.
phone (502) 634-7409
fax (502) 634-7724
email dshobe@sud-chemieinc.com
*******************************

A thousand pardons! I obviously read the original request too quickly.
This aldehyde is not in the Merck Index, Aldrich catalog, or apparently
not in RTECS either. However, it's good that I added the backup
strategy for what to do when tox data is not readily available. I
suggest this route instead of PubMed, TOXNET, or other sources because
it provides more accurate compound identification and more comprehensive
results.

-- Bob Buntrock
Buntrock Associates, Inc.
-----------------------------------------------------------------------
From: Dr. Wendy A. Warr
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Friday, January 31, 2003, 4:29:04 AM
Subject: Two questions.

The MDSSs on ChemWeb
http://www.chemweb.com/databases/ohsmsds
are from OHS not from Cornell.
-----------------------------------------------------------------------
From: dzrlib@LIBRARY.CALTECH.EDU
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Friday, January 31, 2003, 4:41:57 AM
Subject: Two questions.

One nice feature of the ChemWeb MSDS product (from MDL) is that it lists
commercial products that contain various chemicals. For example, a search on
50-00-0 (Formaldehyde) produces a list of 345 records (for products that
contain Formaldehyde). For example:

DAP Waterproof Resorsinol Glue
Kodak Flexicolor Stabilizer ...

Dana L. Roth
Millikan Library / Caltech 1-32
1200 E. California Blvd. Pasadena, CA 91125
626-395-6423 fax 626-792-7540
dzrlib@library.caltech.edu
http://library.caltech.edu/collections/chemistry.htm
---------------------------------------------------------------------
From: eric_siebel@GMX.NET
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Friday, January 31, 2003, 6:10:56 AM
Subject: Two questions.

Hi Judy,
I tried toxcenter with your CAS RN and I found about 6 articles about the
toxicity of 3-hydroxypropanal.
Until now I am also sure, that you cannot buy it, as it is not in the
catalogues of the main producers of speciality chemicals (Aldrich, Fluka, Maerck).
By the way, the MERCK Katalog is a nice source for safety data. You can
access the safety data sheets of Merck compounds through their website at
www.merck.de (never mind the site is in english).
Sincerely
Eric

P.S.: Bob, you were wrong 3-hydroxypropanal is a beta-hydroxylated
aldehydehyde, not a glycol (1,3-dihydroxy propane).
--------------------------------------------------------------------
From: dzrlib@LIBRARY.CALTECH.EDU
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Friday, January 31, 2003, 8:23:09 AM
Subject: Two questions.

This from CHEMLIST, perhaps explains ...

The Interagency Testing Committee, in its 27th Report, defers further
consideration of this substance at the present time because it was not
reported to EPA or the U.S. International Trade Commission as being recently
produced. (1991)

It must have been identified as a hazard in the past as ...

Inventory Status
On TSCA Inventory
May 2002 Inventory Tape.
On NDSL
Canada Gazette, Part I, January 31, 1998.
On EINECS
Annex to Official Journal of the European Communities, 15 June 1990.

Dana L. Roth
Millikan Library / Caltech 1-32
1200 E. California Blvd. Pasadena, CA 91125
626-395-6423 fax 626-792-7540
dzrlib@library.caltech.edu
http://library.caltech.edu/collections/chemistry.htm
-----------------------------------------------------------------------
From: Charles Gragg
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Friday, January 31, 2003, 12:24:55 PM
Subject: Two questions.

3-Hydroxypropanal is also the Michael addition product of water and acrolein.

H2O + CH2=CH-CH=O ---> HO-CH2-CH2-CH=O

Acrolein is "HIGHLY TOXIC" according to the Aldrich Catalog.

I would suspect that 3-hydroxypropanal is also highly toxic.

Charles Gragg
Bayer Corporation - Biological Products
8368 U. S. Hwy 70 West
P. O. Box 507
Clayton, NC 27520-0507

919-359-4467
charles.gragg.b@bayer.com
-------------------------------------------------------------------------
From: Aleksander Suszek
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Friday, January 31, 2003, 2:42:43 PM
Subject: Two questions.

There is an MSDS Search discussion group at
http://groups.yahoo.com/group/msdssearch/
-------------------------------------------------------------------------
From: Judith Currano
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Saturday, February 1, 2003, 12:43:18 AM
Subject: Two questions.

Dear Eric,

Thanks very much for your help! I will add the Merck Katalog to my
list of resources. It's nice that it's in English, although not
necessary for me; I read German!

All the best.

Judy
------------------------------------------------------------------------
------------------------------------------------------------------------
From: A. Ben Wagner
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Saturday, February 1, 2003, 10:49:33 PM
Subject: Two questions.

--On Thursday, January 30, 2003 11:36 AM -0500 Judith Currano
wrote:
.....
> 2) I have discovered that my reference collection is lacking a good
> UV-VIS spectral atlas. Does anyone have a recommendation of a good
> one(s) that I can buy? ...
> Judith N. Currano currano@pobox.upenn.edu
> Chemistry Librarian (215) 898-2177 University of
Pennsylvania

Regarding the second question on UV spectra, below are resources (not all
in print or new, but spectra is spectra. Starred items should contain
spectra in graphical form, rather than tables or lit references only.

-- A. Ben Wagner
Sciences Librarian
University at Buffalo
The State University of New York
________________________________
* http://spectra.galactic.com/ - Thermoglactic Spectra Online (Free, but
registration required)

*UV atlas of organic compounds
PUBLISHER New York, NY: Plenum Press
EDITION & YEAR 1966
VOLUMES HELD 1-5

*Selected ultraviolet spectral data
PUBLISHER College Station, Tx: Thermodynamics Research Center,
Dept. of Chemistry, Texas A & M University
EDITION & YEAR 1982
VOLUMES HELD 1-3

*TITLE Selected ultraviolet spectral data
ALTERNATE TITLE Title varies: Ultraviolet spectral data
ALTERNATE TITLE Title varies: TRC selected ultraviolet spectral data
PUBLISHER College Station, Tx.: Thermodynamics Research
Center,
Texas Engineering Experiment Station, Texas A&M Univ.
EDITION & YEAR 1975

*Absorption spectra in the ultraviolet and visible region.
New York, Academic Press 1959-
SCI/ENGR Book Collection QC437 .L26 v.1-23
Indexes for each volume, and cumulative.

Atlas of protein spectra in the ultraviolet and visible regions
New York, IFI/Plenum, 1972-<74>
SCI/ENGR Book Collection QC463.P7 K5 v.1

Atlas of spectral data and physical constants for organic compounds
2d ed. Cleveland : CRC Press, <1975>
SCI/ENGR Reference QD257.7 .G7 1975 v.1-v.6
Tabular condensation of spectral data from numerous published collections.
Vol 1 contains name/synonym directory, structures, and spectroscopic aids;
vols. 2-4 contain data tables; vols 5-6 have indexes of molecular weight,
physical constants, WLNs, mass spectra, etc.

*Atlas of steroid spectra.
Berlin, New York, Springer-Verlag, 1965.
SCI/ENGR Reference QC463.S8 N4
MIT wavelength tables. with intensities in arc, spark, or discharge tube of
more than 100,000 spectrum lines most strongly emitted by the atomic
elements under normal conditions of excitation between
10,000 A. and 2000 A., arranged in order of decreasing wavelengths
Cambridge, Mass. : M.I.T. Press, <1969>-c1982 2 v.
SCI/ENGR Reference QC453 .M36 1969

Organic electronic spectral data.
New York : Wiley & Sons 1946/52
SCI/ENGR Reference QC437 .O73 v.24 (1982)
SCI/ENGR Book Collection QC437 .O73 v.1 (1946/1952)-v.9 (1967), v.4
(1958/1959)
Data abstracted from the journal literature for each year, which see.
(references)

*Spectral atlas of polycyclic aromatic compounds : including data on
occurrence and biological activity
Kluwer Academic Publishers, c1985.
SCI/ENGR Reference QD341.H9 S6354 1985
Tables of spectral data for structure determination of organic compounds /
Pretsch
2nd ed. Berlin ; New York : Springer-Verlag, c1989.
SCI/ENGR Book Collection QC462.85 .T313 1989

Ultraviolet and visible absorption spectra. Index.
New York, Academic Press. 1930/54-
SCI/ENGR Book Collection Z7144.S7 H4 1930/1954 - 1960/1963
Ultraviolet multiplet table. / Moore
Washington, U.S. Govt. Print. Off., 1950-
SCI/ENGR Book Collection QC100 .U555 no.488

*UV atlas of organic compounds
Butterworths <1966-
SCI/ENGR Reference (Non-Circulating) QC459 .U85 v.1-5.
Cumulative MF, alphabetic, and compound classification indexes in v. 5.
---------------------------------------------------------------------------
From: Wiggins, Gary D.
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Monday, February 3, 2003, 9:03:23 PM
Subject: Two questions: UV spectra

Ben Wagner has already submitted a nice list. Here another list (duplicating many of Ben's) but including a few more references, including some oldies.
Gary Wiggins, Indiana University Chemistry Library

Title: Handbook of Organic Compounds: NIR, IR, Raman, and UV-VIS Spectra featuring Polymers and Surfactants
Imprint: San Diego, Academic Press, c2001, 2000
Call Number: QC462.85.H36 2000 v.1-3 CHEMISTRY LIBRARY Reference

Author:
Title: Absorption Spectra in the Ultra-Violet and Visible Region
Imprint: New York, Academic Press, 1961-
Call Number: QC437.L26 REFERENCE

Author:
Title: Organic Electronic Spectral Data
Imprint: New York, Interscience, 1960-
Call Number: QC437.O68 REFERENCE

Author: Friedel, Robert A.; Orchin, Milton
Title: Ultraviolet Spectra of Aromatic Compounds
Imprint: New York, Wiley, 1951
Call Number: QC459.F9 REFERENCE

Author:
Title: UV Atlas of Organic Compounds
Imprint: New York, Plenum Press, 1966-68
Call Number: QC459.U12 REFERENCE

Author:
Title: Handbook of HeI Photoelectron Spectra of Fundamental Organic Molecules: Ionization Energies, Ab Initio Assignments, and Valence Electronic Structure for 200 Molecules
Imprint: Tokyo; New York, Scientific Societies Press; Halsted Press, 1981
Call Number: QC462.5.H34 REFERENCE

Author:
Title: Atlas of Protein Spectra in the Ultraviolet and Visible Regions
Imprint: New York, IFI/Plenum, 1972-74
Call Number: QC463.P7 K58 REFERENCE

Author: Neudert, Walter; Ropke, Horst
Title: Atlas of Steroid Spectra
Imprint: New York, Springer-Verlag, 1965
Call Number: QC463.S8 N47 REFERENCE

Author: Hudson, Robert D.
Title: Critical Review of Ultraviolet Photoabsorption Cross Sections for Molecules of Astrophysical and Aeronomic Interest
Imprint: Washington, U.S. Government Printing Office, 1971
Call Number: QC918.H886 REFERENCE

Author:
Title: Handbook of Spectroscopy
Imprint: Cleveland, OH, CRC Press, 1974-81
Call Number: QD95.H236 REFERENCE

Author:
Title: Atlas of Spectral Data and Physical Constants for Organic Compounds
Imprint: Cleveland, OH, CRC Press, 1975
Call Number: QD257.7.G768 1975 CHEMISTRY LIBRARY Reference

Author: Hirayama, Kenzo
Title: Handbook of Ultraviolet and Visible Absorption Spectra of Organic Compounds
Imprint: New York, Plenum Press, 1967
Call Number: QD291.H236 CHEMISTRY LIBRARY Reference

Author: White, Robert G.
Title: Handbook of Ultraviolet Methods
Imprint: New York, Plenum Press, 1965
Call Number: Z5524.S75 W5 REFERENCE

Author:
Title: Ultraviolet and Visible Absorption Spectra; Index, 1930/54- 1960/63
Imprint: New York, Academic Press, 1956-66
Call Number: Z7144.S7 U4 REFERENCE

Author:
Title: TRC Spectral Data: Ultraviolet
Imprint: College Station, TX, Thermodynamics Research Center,
Call Number: QC459.S45 1984

Author:
Title: The Sadtler Handbook of Ultraviolet Spectra
Imprint: Philadelphia, PA, Sadtler Research Laboratories, 1979
Call Number:

Author: Kelly, Raymond L.
Title: Atomic and Ionic Spectrum Lines Below 2000 Angstroms: Hydrogen Through Krypton
Imprint: Washington, DC, American Chemical Society, 1987
Call Number: QC453.K45 1987 CHEMISTRY LIBRARY Reference
--------------------------------------------------------------------------
From: David Lide
To: CHMINF-L@LISTSERV.INDIANA.EDU
Date: Monday, February 3, 2003, 11:24:06 PM
Subject: Two questions -UV spectra

May I add a few comments on Ben's list:

1. Atlas of spectral data and physical constants for organic compounds
2d ed. Cleveland : CRC Press, <1975>: This is out of print, but all the
spectral data appear in Handbook of Data on Organic Compounds, Third
Edition, CRC Press, 1994. More to the point, these data (amplified by new
mass spectra and including search capability) are contained in Properties of
Organic Compounds, Ver. 6.0, which is available on CDROM from CRC Press and
is on the web at www.chemnetbase.com.

2. MIT wavelength tables: I suspect this is out of print, but a more recent
compilation of atomic spectral lines is contained in the CRC Handbook of
Chemistry and Physics. The CDROM and web versions cover over 80,000 lines
and have the capability of searching by wavelength range, element, and
ionization state.

3. Tables of spectral data for structure determination of organic compounds
/ Pretsch: Springer published a new edition in 2000.

David Lide

**************************
Dr. David R. Lide
13901 Riding Loop Dr.
Gaithersburg, MD 20878
Tel: 301-738-7147
email: drlide@post.harvard.edu
----------------------------------------------------------------------

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Summary by Xiaoxia Li on 02-06-2003

Last updated by Xiaoxia Li on 02-06-2003

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