| Chemical |
Isopropylbenzene |
| CAS-number : |
98-82-8 |
| |
| Synonyms : |
| 1-methyl ethylbenzene |
| 2-phenylpropane |
| cumene |
| cumol |
| Isopropyylibentseeni |
| kumeeni |
| |
| Sumformula of the chemical : |
| C9H12 |
| EINECS-number : |
| 2027045 |
| |
| Purity, % : |
| 90 |
90 - 99.9 |
| 99.9 |
EU RA Report 2001 |
| |
| Known impurities : |
Ethylbenzene <0.1 %;
n-propylbenzene < 0.1 %;
butylbenzene < 0.1 %;
t-butylbenzene < 10 %;
aliphatic derivatives < 0.1 %;
benzene < 0.1 %;
phenol < 0.1 %
(EU RA Report 2001). |
| |
| State and appearance : |
Cumene is a colourless liquid with a strong aromatic odour (EU
RA Report 2001).
|
| |
| Odor : |
Quality: sharp
Hedonic tone: pleasant
Threshold odour concentration
absolute: 0.008 ppm
50 % recognition: 0.047 ppm
100 % recognition: 0.047 ppm
Odour index 100 % recognition: 83 000
(Hellman & Small 1974)
|
| |
| Molecular weight : |
120.19 |
| |
| Spesicif gravity (water=1) : |
| 0.862 |
|
| |
| Vapor pressure, mmHg : |
| 4.6 |
at 25 °C, EU RA Report 2001 |
| |
| Water solubility, mg/l : |
| 27 |
at 20 °C |
| 50 |
at 25 °C |
| |
EU RA Report 2001 |
| |
| Melting point, °C : |
| -96 |
EU RA Report 2001 |
| |
| Boiling point, °C : |
| 145.2 |
|
| |
-- |
| 152 |
152 - 153 °C |
| 153 |
EU RA Report 2001 |
| |
| Flashing point, °C : |
| 39 |
closed cup, EU RA Report 2001 |
| |
| Log octanol/water coefficient, log Pow : |
| 3.66 |
ANON 1986 |
| 3.66 |
Sangster 1989 |
| 3.55 |
at 23 °C, OECD 107, EU RA Report 2001 |
| |
| Henry's law constant, Pa x m3/mol : |
| 1469 |
calc. Yaws et al. 1991 |
| 1010.8 |
at 20 °C, EU RA Report 2001 |
| |
| Volatilization : |
Relative volatility (nBuAc=1) = 0.52
|
| |
| Photochemical degradation in air : |
Photooxidation half-life in air:
4.05d - 9.72hr, scientific judgement based upon estimated rate
constant for reaction with hydroxyl radical in air (Howard
1991).
Using an average ozone atmospheric concentration of 1x10+12
molec/cm3 a half-life of 1.4 days can be calculated.
Assuming
an atmospheric concentration range of hydroxyl radicals between
5x10+5 and 1x10+6 molec/cm3, atmospheric half-lives of 1 - 2.4
days can be estimated (EU RA Report 2001).
|
| |
| Photochemical degradation in water : |
Photooxidation half-life in water:
14.6yr - 134d, based upon measured rate constant for reaction
with hydroxyl redical in water (Howard 1991).
The photo-oxidation of cumene in natural waters was shown to
yield side-chain oxidation products after reaction with RO2
radicals, i.e. cumene hydroperoxide, cumyl alcohol and
acetophenone, while after reaction with OH radicals gave both
side-chain and ring oxidation products, including 2- and
4-isopropylphenols.
Half-lives of 0.4 - 5.1 hours have been
reported (EU RA Report 2001).
|
| |
| Half-life in air, days : |
| 4.05 |
4.05d - 9.72hr, |
| 0.41 |
scientific judgement based upon estimated photooxidation halflife in air. |
| |
Howard 1991 |
| |
| Half-life in soil, days : |
| 8 |
8d - 2d, |
| 2 |
based upon data from a soil column sudy in which aerobic ground water was continuously percolated through quartz sand |
| |
Howard 1991 |
| |
| Half-life in water, days : |
| 8 |
8d - 2d, |
| 2 |
in surface water: based upon data from a soil column sudy in which aerobic ground water was continuously percolated through quartz sand, |
| 16 |
16d - 4d, |
| 4 |
in ground water: based upon data from a soil column sudy in which aerobic ground water was continuously percolated through quartz sand |
| |
Howard 1991 |
| |
| Aerobic degradation in water : |
Aerobic half-life:
8d - 2d, based upon data from a soil column study in which
aerobic ground water was continuously percolated through quartz
sand (Howard 1991).
|
| |
| Anaerobic degradation in water : |
Anaerobic half-life:
scientific judgement based upon unacclimated aqueous aerobic
biodegradation half-life (Howard 1991).
|
| |
| Total degradation in water : |
Test type %biodegr days micro-org source ref
--------------------------------------------------------------
aerobic 13 28 industrial wastewater a
aerobic 86 28 domest wastew, non-adapt a
aerobic 70 20 domest wastew, non-adapt b, c
aerobic 2 20 seawater micro, non-adapt b
anaerob no biodegr 60 d
anaerob 6 187 groundw and aquif material e
--------------------------------------------------------------
a)Huels A G 1984
b)Price et al 1974
c)Waggy et al 1974
d)Battersby and Wilson 1989
e)Acton et al. 1992
(EU RA Report 2001).
The weight of evidence on the provided degradation data and the
information available for for other related chemicals indicate
that cumeneshould be classified as "inherently biodegradable"
(EU RA Report 2001).
The biodegradation of cumene in seawater or under anaerobic
conditions must be expected to be lower than for aerobic
freshwater conditons (EU RA Report 2001).
|
| |
| Ready biodegradability : |
Confirmed to be biodegradable (Anon. 1987). |
| |
| Other information of bioaccumulation : |
BCF values 224 (calc) and 208 (calc) (EU RA Report 2001).
|
| |
| LD50 values to mammals in oral exposure, mg/kg : |
| 1400 |
|
| |
| LD50 values to birds in oral exposure, mg/kg : |
| 98 |
>98, orl-Agelaius phoeniceus |
| |
Schafer et al. 1983 |
| |
| EC50 values to algae, mg/l : |
| 2.6 |
72hr, Galassi et al. 1988 |
| |
-- |
| 21.27 |
3 hr, Chlorella vulgaris |
| 8.8 |
3 hr, Chlamydomonas angulosa |
| 2.6 |
72 hr, Selenastrum capricornutum |
| |
EU RA Report 2001 |
| |
| NOEC values to algae, mg/l : |
| 0.22 |
72 hr, Scenedesmus subspicatus |
| |
EU RA Report 2001 |
| |
| LC50 values to crustaceans, mg/l : |
| 11.6 |
96 hr, Gammarus fossarum |
| 1.3 |
96 hr, Mysidopsis bahia |
| 15.2 |
96 hr, Asellus sp |
| |
EU RA Report 2001 |
| |
| EC50 values to crustaceans, mg/l : |
| 1.4 |
24 hr, Daphnia magna. OECD 202 |
| 4 |
48 hr, Daphnia magna |
| 10.8 |
48 hr, Daphnia magna |
| 7.4 |
48 hr, Artemia salina (marine) |
| 13.7 |
24 hr, Artemia salina (marine) |
| |
EU RA Report 2001 |
| |
| NOEC values to crustaceans, mg/l : |
| 1.5 |
48 hr, Daphnia magna |
| 0.35 |
21 d, Daphnia magna, repr or surv. |
| |
EU RA Report 2001 |
| |
| LC50 values to fishes, mg/l : |
| 2.7 |
96hr, Galassi et al. 1988 |
| |
-- |
| 6.32 |
96 hr, Pimephales promelas, Geiger et al. 1986 |
| |
-- |
| 4.7 |
96 hr, Cyprinodon variegatus |
| 4.8 |
96 hr, Oncorhynchus mykiss |
| 5.1 |
96 hr, Poecilia reticulata |
| 2.7 |
96 hr, Salmo gairdneri |
| 22.5 |
48 hr, Leuciscus idus |
| 47 |
48 hr, Leuciscus idus melanotus |
| 20 |
96 hr, Pimephales promelas |
| |
EU RA Report 2001 |
| |
| EC50 values to fishes, mg/l : |
| 6.32 |
96 hr, mbt, Pimephales promelas, Geiger et al. 1986 |
| |
| NOEC values to fishes, mg/l : |
| 2.9 |
96 hr, Cyprinodon variegatus |
| 1.9 |
96 hr, Oncorhynchus mykiss |
| |
EU RA Report 2001 |
References |
| 1848 | Anon. 1987a.
The list of the existing chemical substances tested
on biodegradability by microorganisms or bioaccumulation in
fish body by Chemicals Inspection & Testing Institute.
Ministry
of International Trade and Industry, MITI.
Japan. |
| 2283 | Anon.1986a.
Evaluation of the OECD laboratory intercomparison
testing on the determination of the partition coefficient
n-octanol-water by reverse phase HPLC.
Report.
Fraunhofer-Institut für Umweltchemie und Ökotoxikologie. |
| 3347 | EU RA Report 2001.
Existing Substances: cumene.
European Union
Risk Assessment Report (Vol. 6) Institute for Health and
Consumer Protection.
European Chemicals Bureau.
European
Communities.
|
| 2140 | Galassi, S. et al. 1988.
Approaches to modeling toxic responses
of aquatic organisms to aromatic hydrocarbons.
Ecotoxicol.
Environ.
Saf. 16: 158. |
| 3294 | Geiger, D.
L. et al. 1986.
Acute toxicities of organic
chemicals to fathead minnows (Pimephales promelas) Vol. 3.
Center for Lake Superior Environmental Studies, University of
Wisconsin-Superior, Superior, Wisconsin, U.S.A., 328.
|
| 1673 | Hellman, T.M. & Small, F.H. 1974.
Characterization of the odour
properties of 101 petrochemicals using sensory methods.
J.
Air
Pollut.
Control Assoc. 24: 979 - 982. |
| 3120 | Howard, P.H., Boethling, R.S., Jarvis, W.F., Meylan, W.M. &
Michalenko, E.M., Handbook of Environmental Degradation Rates,
1991.
Lewis Publicers, Inc., Chelsea, Michigan, U.S.A.,
pp. 725.
|
| 3104 | Sangster, J. 1989.
Octanol-water partition coefficients of
simple organic compounds.
J.
Phys.
Chem.
Ref.
Data, Vol 18, No.
3: 1111 - 1229. |
| 1743 | Schafer , E.W.Jr., Bowles, W.A.Jr., Hurlbut, J. 1983.
The acute
oral toxicity, repellency and hazard potential of 993 chemicals to
one or more species of wild and domestic birds.
Arch.
Environ.
Contam.
Toxicol. 12: 355 - 382. |
| 3030 | Yaws, C., Yang, H-C. & Pan, X. 1991.
Henry's law constants for
362 organic compounds in water.
Chemical Engineering.
November.
p 179 - 185. |
