Acrylonitrile: Carcinogenic Potency Database

Acrylonitrile (CAS 107-13-1)
SMILES, InChI and Structure are below.
Rats and Mice: Cancer Test Summary

Rat Target Sites		Mouse Target Sites		TD₅₀ (mg/kg/day)
Male	Female	Male	Female	Rat	Mouse
ezy nrv orc smi sto	ezy mgl nas nrv orc smi sto	hag sto	hag sto	16.9^m,v	6.32^m

Key to the Table Above

Positivity: For each chemical with a positive (carcinogenic) experiment in the Carcinogenic Potency Database (CPDB), results are included on carcinogenic potency (TD₅₀) in each species and target sites in males and females. Positivity is determined by an author’s opinion in a published paper. If all experimental results in the CDPB are negative in a sex-species group, “no positive” appears. If the CPDB has no experiments in the sex-species group, “no test” appears. The summary presents the strongest evidence of carcinogenicity in each group. If there are both positive and negative experiments in a sex-species, the negative results are ignored in this Summary Table.

Target Site Codes: ezy = ear/Zymbal’s gland. hag = harderian gland. mgl = mammary gland. nas = nasal cavity (includes tissues of the nose, nasal turbinates, paranasal sinuses and trachea). nrv = nervous system. orc = oral cavity (includes tissues of the mouth, oropharynx, pharynx, and larynx). smi = small intestine. sto = stomach. Target sites are listed if any author of published experimental results concluded that tumors were induced in that organ by the test agent. If there is more than one positive experiment in a sex-species, target sites listed may be from more than one experiment, e.g. if liver and lung are both listed, then liver may have been a target in one experiment and lung in another.

TD₅₀: Our standardized measure of carcinogenic potency, TD₅₀, is the daily dose rate in mg/kg body weight/day to induce tumors in half of test animals that would have remained tumor-free at zero dose. Whenever there is more than one positive experiment in a species, the reported TD₅₀ value is a Harmonic Mean calculated using the TD₅₀ value from the most potent target site in each positive experiment.

Superscripts: m = There is more than one positive experiment in the species, and TD₅₀ values from each positive experiment are used in the calculation of the reported Harmonic mean of TD₅₀. v = Variation is greater than ten-fold among statistically significant (two-tailed p<0.1) TD₅₀ values from different positive experiments.

The Carcinogenic Potency Database (CPDB) is a unique and widely used international resource of the results of 6540 chronic, long-term animal cancer tests on 1547 chemicals. The CPDB provides easy access to the bioassay literature, with qualitative and quantitative analyses of both positive and negative experiments that have been published over the past 50 years in the general literature through 2001 and by the National Cancer Institute/National Toxicology Program through 2004. The CPDB standardizes the diverse literature of cancer bioassays that vary widely in protocol, histopathological examination and nomenclature, and in the published author’s choices of what information to provide in their papers. Results are reported in the CPDB for tests in rats, mice, hamsters, dogs, and nonhuman primates.

For each experiment, information is included on species, strain, and sex of test animal; features of experimental protocol such as route of administration, duration of dosing, dose level(s) in mg/kg body weight/day, and duration of experiment; experimental results are provided on target organ, tumor type, and tumor incidence; carcinogenic potency (TD₅₀) and its statistical significance; shape of the dose-response, author’s opinion as to carcinogenicity, and literature citation.

Only tests with dosing for at least ¼ the standard lifespan of the species and experiment length at least ½ the lifespan are included in the CPDB. Only routes of administration with whole body exposure are included. Doses are standardized, average dose rates in mg/kg/day. A description of methods used in the CPDB to standardize the diverse literature of animal cancer tests is presented for: 1) Criteria for inclusion of experiments 2) Standardization of average daily dose levels and 3) TD₅₀ estimation for a standard lifespan. See Methods for other details.

TD₅₀ provides a standardized quantitative measure that can be used for comparisons and analyses of many issues in carcinogenesis. The range of TD₅₀ values across chemicals that are rodent carcinogens is more than 100 million-fold. More than half the chemicals tested are positive in at least one experiment.

A plot of all results on each experiment in the CPDB for this chemical is presented below. These results are the source information for the Cancer Test Summary table above.

Acrylonitrile: All Experiments and Citations in CPDB

The definition of each code in the plot below will appear in a pop-up window when the field name in the header line is clicked, e.g., Strain, Site, Path. Each numbered line starts a new experiment and reports protocol information in black. Average daily dose-rates per kg body weight per day are in green. Remaining lines report experimental results in blue.

Abbreviations of fields in header line: # = the line number in the plot of all CPDB chemicals; Xpo = duration of dosing; Xpt = duration of experiment; Site = tissue; Path = tumor type; DR = dose-response; AuOp = author’s opinion about carcinogenicity; LoConf, UpConf = confidence limits (99%) on TD₅₀; Inc = tumor incidence for each dose group.

See Guide to reading the plot for details on each field, using an example of one experiment.

See Help to improve readability, or to fit the plot onto the screen or a printed page.



Chemical (Synonym) CAS
# Species Sex Strain Route Xpo+Xpt PaperNum        0 Dose  1 Dose 2 Dose  3 Dose          Literature Reference or NCI/NTP:Site Path
Site Path Notes   TD50  DR Pval    AuOp LoConf UpConf   Cntrl   1 Inc  2 Inc   3 Inc                                                        Brkly Code



ACRYLONITRILE   107-13-1
162  M f b6c gav 24m24 TR506 :                       0    1.79mg  7.14mg  14.3mg
 MXB MXB        5.93mg * P<.0005    3.72mg 12.2mg  14/50   15/50   38/50   35/50                     for:sqc,sqp; hag:ade,anb,car. C
 for MXA        6.77mg * P<.0005 c  4.62mg 11.5mg   3/50    7/50   25/50   29/50                                      for:sqc,sqp.
 for sqp        8.83mg * P<.0005 c  5.65mg 17.5mg   3/50    6/50   24/50   19/50
 hag MXA        9.87mg * P<.0005 c  5.76mg 25.4mg  11/50   10/50   26/50   25/50                                  hag:ade,anb,car.
 hag MXA        10.7mg * P<.0005 c  6.13mg 29.3mg  10/50   10/50   25/50   23/50                                      hag:ade,anb.
 for sqc        40.2mg Z P<.0005 c  21.1mg 90.4mg   0/50    1/50    1/50   11/50
 --- hem        87.2mg * P<.01      35.3mg 6.38gm   0/50    1/50    1/50    4/50                                                   S
 lun MXA        34.6mg * P<.04   e  14.2mg n.s.s.   6/50    6/50   14/50    9/50                                      lun:a/a,a/c.
 ova MXA        88.1mg * P<.03   e  33.5mg n.s.s.   0/50    0/50    4/50    1/50                                      ova:gcb,gcm.
 TBA MXB        20.7mg * P<.4       5.64mg n.s.s.  50/50   45/50   50/50   40/50
 liv MXB        no dre   P=1.       20.3mg n.s.s.  20/50   15/50   19/50   10/50                                  liv:hpa,hpb,hpc.
 lun MXB        34.6mg * P<.04      14.2mg n.s.s.   6/50    6/50   14/50    9/50                                      lun:a/a,a/c.
163  M m b6c gav 24m24 TR506 :                       0    1.79mg  7.14mg  14.3mg
 MXB MXB        4.21mg * P<.0005    2.89mg 6.95mg   9/50   19/50   39/50   39/50                         for:sqc,sqp; hag:ade,car. C
 for MXA        5.92mg Z P<.0005 c  4.15mg 9.13mg   3/50    4/50   26/50   32/50                                      for:sqc,sqp.
 hag MXA        6.18mg * P<.0005 c  4.07mg 11.1mg   6/50   16/50   27/50   30/50                                      hag:ade,car.
 hag ade        7.06mg * P<.0005 c  4.55mg 13.4mg   5/50   16/50   24/50   27/50
 for sqp        7.74mg Z P<.0005 c  5.15mg 13.1mg   3/50    4/50   19/50   25/50
 for sqc        27.0mg * P<.0005 c  15.2mg 54.3mg   0/50    0/50    8/50    9/50
 hag car        69.3mg * P<.03      26.1mg n.s.s.   1/50    1/50    4/50    3/50                                                   S
 TBA MXB        5.68mg Z P<.0005    3.15mg 19.6mg  50/50   43/50   49/50   50/50
 liv MXB        41.6mg * P<.6       7.87mg n.s.s.  32/50   36/50   37/50   17/50                                  liv:hpa,hpb,hpc.
 lun MXB        119.mg * P<.6       19.3mg n.s.s.  14/50   11/50    8/50    9/50                                      lun:a/a,a/c.
164  R m cdr wat 24m24 1881                          0    1.00mg  5.00mg  25.0mg                       Gallagher;jact,7,603-615;1988
 zym sqc es     30.1mg * P<.0005 +  14.5mg 77.9mg   0/18    0/20    1/19    9/18
 for pam s      97.4mg * P<.003     33.6mg 591.mg   0/20    0/20    0/20    4/20
 pit ade es     no dre   P=1.       15.4mg n.s.s.   5/18    3/20    1/19   (0/18)
 tba mal es     31.3mg * P<.02      12.6mg n.s.s.   3/18    1/20    8/20    8/18
165  R f sda inh 12m24 BT201                         0    .271mg  .542mg  1.08mg  2.17mg               Maltoni;anya,534,179-202;1988
 adr phe        1.49mg Z P<.02      .679mg n.s.s.   1/30    5/30    7/30   (2/30    0/30)
 bra gli        41.2mg * P<.2    +  10.1mg n.s.s.   0/30    0/30    0/30    1/30    1/30
 liv hpt        no dre   P=1.       .893mg n.s.s.   0/30    0/30    0/30    0/30    0/30
 tba mix        2.09mg Z P<.3       .623mg n.s.s.   9/30   23/30   15/30   17/30  (10/30)
 tba mal        no dre   P=1.       4.00mg n.s.s.   3/30   12/30    6/30    7/30    6/30
166  R f sda gav 12m24 BT203                         0    1.07mg
 liv hpt        no dre   P=1.    -  8.83mg n.s.s.   0/75    0/40
 tba mix        2.97mg   P<.3    -  .782mg n.s.s.  39/75   25/40
 tba mal        no dre   P=1.    -  2.33mg n.s.s.  17/75    9/40
167  R f sda inh 24m24 BT4003                        0    11.1mg
 mam mix g      11.7mg   P<.003     5.82mg 75.7mg  24/60   37/54
 bra gli g      132.mg   P<.04   +  40.1mg n.s.s.   0/60    3/54
 liv hpt g      no dre   P=1.       123.mg n.s.s.   0/60    0/54
 tba mal g      25.2mg   P<.008  +  11.7mg 495.mg   9/60   20/54
 tba mix g      10.6mg   P<.02      4.69mg n.s.s.  35/60   43/54
168  R m sda inh 12m24 BT201                         0    .190mg  .379mg  .759mg  1.52mg
 bra gli        19.1mg * P<.04   +  5.77mg n.s.s.   0/30    0/30    0/30    1/30    2/30
 liv hpt        no dre   P=1.       .625mg n.s.s.   0/30    0/30    0/30    0/30    0/30
 tba mix        1.30mg * P<.002     .674mg 6.77mg   8/30    7/30   19/30   15/30   19/30
 tba mal        1.43mg Z P<.04      .565mg n.s.s.   3/30    0/30   10/30   (9/30   10/30)
169  R m sda gav 12m24 BT203                         0    1.07mg
 liv hpt        no dre   P=1.    -  8.83mg n.s.s.   0/75    0/40
 tba mix        5.59mg   P<.3    -  1.55mg n.s.s.  13/75   11/40
 tba mal        33.4mg   P<.8    -  3.14mg n.s.s.   6/75    4/40
170  R f sss inh 24m24 1251n                         0    3.24mg  13.0mg                                             Quast;dcrp;1980
 cns ast aes    49.6mg * P<.0005 +  29.6mg 94.2mg   0/99    4/100  17/99
 ccx ast aes    62.0mg * P<.0005    35.2mg 130.mg   0/99    3/99   14/99
 zym mix aes    81.5mg * P<.0005 +  42.0mg 193.mg   0/93    1/98   11/89
 zym ssc aes    89.0mg * P<.0005    44.7mg 217.mg   0/93    0/98   11/89
 brs ast aes    123.mg * P<.002     55.6mg 444.mg   0/93    1/96    7/88
 ntu rsc aes    52.0mg * P<.06   +  12.8mg n.s.s.   0/11    0/10    2/10
 mgl adc aes    69.1mg * P<.02   +  31.7mg 13.1gm   9/99    8/100  20/99
 liv cho aes    362.mg * P<.9       58.9mg n.s.s.   0/72    1/68    0/23
 liv clc aes    362.mg * P<.9       58.9mg n.s.s.   0/72    1/68    0/23
 mgl fba aes    no dre   P=1.    +  21.6mg n.s.s.  79/99   96/100  75/99
 tba mix aes    no dre   P=1.       9.07mg n.s.s.  97/99   99/100  93/99
171  R f sss wat 24m25 1268n                         0    2.00mg  5.69mg  15.4mg                                     Quast;dcfr;1980
 cns ast aesv   5.31mg Z P<.0005 +  3.52mg 8.79mg   1/80   17/48   22/48  (24/47)
 smi muc aesv   8.19mg Z P<.0005 +  3.07mg 34.3mg   0/79    1/7     4/10   (4/34)
 brs ast aesv   11.4mg Z P<.0005    6.74mg 22.5mg   0/78    9/48   11/47   (8/46)
 stn mix aesv   13.3mg * P<.0005 +  9.08mg 20.8mg   1/80    1/47   12/48   30/47
 ccx ast aesv   13.6mg * P<.0005    9.11mg 24.1mg   1/80   10/48   17/47   21/47
 stn sqp aesv   13.8mg * P<.0005    9.38mg 21.7mg   1/80    1/47   12/48   29/47
 zym mix aesv   22.6mg * P<.0005 +  14.1mg 43.5mg   1/80    5/48    8/48   18/47
 zym ssc aesv   31.4mg * P<.0005    18.3mg 71.7mg   1/80    4/48    6/48   14/47
 mgl mal aesv   42.6mg * P<.004  +  20.2mg 353.mg   6/80    7/48    9/48   13/47
 stn sqc aesv   46.1mg Z P<.0005    23.7mg 108.mg   0/79    0/46    0/45   12/34
 crl ast aesv   65.9mg * P<.002     33.1mg 285.mg   0/79    2/47    3/48    6/46
 spd ast aesv   90.8mg * P<.0005    41.1mg 280.mg   0/78    0/48    2/47    6/46
 zym ade aesv   93.7mg * P<.004     42.4mg 798.mg   0/80    1/48    3/48    4/47
 liv mix aesv   169.mg * P<.2       34.0mg n.s.s.   1/68    0/34    1/25    1/11
 mgl mix aesv   no dre   P=1.    +  11.0mg n.s.s.  57/80   42/48   42/48   35/47
 tba mix aesv   1.75mg * P<.1       .287mg n.s.s.  78/80   47/48   48/48   48/48
172  R f sss wat 22m25 1268o                         0    15.4mg
 ton mix esv    34.5mg   P<.0005 +  17.7mg 80.9mg   0/78   12/44
 ton sqc esv    42.6mg   P<.0005    20.7mg 110.mg   0/78   10/44
173  R m sss inh 24m24 1251m                         0    2.27mg  9.10mg                                             Quast;dcrp;1980
 cns ast aes    32.4mg * P<.0005 +  18.9mg 63.8mg   0/96    4/93   15/82
 itl mix aes    37.8mg * P<.0005    20.0mg 117.mg   4/96    3/93   17/82
 ccx ast aes    38.8mg * P<.0005    21.7mg 80.1mg   0/96    2/93   14/82
 zym ssc aes    50.1mg * P<.0005    25.3mg 174.mg   1/96    3/93   11/82
 zym mix aes    53.0mg * P<.003  +  25.4mg 310.mg   2/96    4/93   11/82
 stn mix aes    99.0mg * P<.02   +  38.9mg n.s.s.   1/95    2/93    6/81
 liv hpc aes    403.mg * P<.2       65.7mg n.s.s.   0/74    0/64    1/48
 tba mix aes    no dre   P=1.       10.9mg n.s.s.  86/100  75/100  80/100
174  R m sss inh 24m24 1251o                         0    9.10mg
 smi muc es     37.7mg   P<.0005 +  19.0mg 127.mg   2/96   14/81
 ton sqp es     73.0mg   P<.007     25.2mg 1.03gm   0/72    4/48
 ton mix es     89.1mg   P<.02   +  35.1mg n.s.s.   1/95    7/89
175  R m sss wat 24m25 1268m                         0    1.75mg  4.98mg  14.9mg                                     Quast;dcfr;1980
 stn mix aesv   6.36mg * P<.0005 +  4.58mg 9.11mg   0/79    3/46   23/47   39/47
 cns ast aesv   10.7mg * P<.0005 +  7.33mg 17.9mg   1/73    8/45   19/47   23/44
 ccx ast aesv   12.0mg * P<.0005    8.03mg 21.0mg   1/73    8/45   18/47   21/44
 stn sqp aesv   12.2mg * P<.0005    8.40mg 18.6mg   0/79    2/46   17/47   25/47
 stn sqc aesv   14.1mg * P<.0005    9.38mg 22.6mg   0/73    1/44   10/47   25/43
 brs ast aesv   18.6mg Z P<.0005    9.34mg 49.5mg   0/73    3/44    8/47   (6/44)
 zym ssc aesv   34.1mg * P<.0005 +  18.3mg 93.5mg   3/73    4/45    3/47   15/44
 smi muc aesv   128.mg Z P<.3       29.9mg n.s.s.   3/73    6/16    1/11    6/42
 liv hpc aesv   no dre   P=1.       82.9mg n.s.s.   1/50    1/31    0/31    0/18
 tba mix aesv   5.55mg * P<.005     2.31mg 70.8mg  67/80   37/47   47/48   46/48
176  R m sss wat 96w96 1268r                         0    14.9mg
 ton mix esv    66.6mg   P<.02   +  23.5mg n.s.s.   1/68    5/37
 ton sqc esv    66.6mg   P<.02      23.5mg n.s.s.   1/68    5/37

Mutagenicity in Salmonella: positive
SMILES Code for Acrylonitrile: C=CC#N
InChI Code for Acrylonitrile: InChI=1/C3H3N/c1-2-3-4/h2H,1H2
Source for SMILES and InChI: USEPA Distributed Structure-Searchable Toxicity (DSSTox) Database

Chemical Structure for Acrylonitrile:

Source for structure: National Library of Medicine ChemIDPlus

See full CPDB Summary Table on 1547 chemicals. See Full CPDB for all results on 6540 experiments of 1547 chemicals.

A complete list of CPDB chemicals, which is searchable by name or by CAS number, is available here.

For a compendium of CPDB results organized by target organ, which lists all chemicals in each species that induced tumors in each of 35 organs, see Summary Table by Target Organ.

The CPDB is available in several formats that permit printing and downloading into spreadsheets and statistical databases.

A plot of the CPDB presents results of 1547 experiments on 6540 chemicals in an easily readable format that has been used in publications of the CPDB.
A Screen version plot for use on a single computer screen, with the same data.
Excel version of the same data.
Tab-separated versions of the same data, which can be easily read into databases.

A Supplementary Dataset gives details on dosing and survival for each experiment.

Relatively precise estimates of the lower confidence limit on the TD₁₀ (LTD₁₀) are readily calculated from the TD₅₀ and its lower confidence limit, which are reported in the CPDB. For researchers and regulatory agencies interested in LTD₁₀ values, we provide them in an Excel spreadsheet.

PDF versions of our publications of analyses using the CPDB are available, organized by year and by research topic.

Carcinogenic Potency Database Project (CPDB) Home Page
For more information about this Web Page, contact slone.cpdb@gmail.com.
Last updated: October 3, 2007