Acrylonitrile (CAS 107-13-1)

SMILES, InChI and Structure are below.

Rat Target Sites | Mouse Target Sites | TD_{50} (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
(TD_{50}) 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.

TD_{50}:
Our standardized measure of carcinogenic potency,
TD_{50}, 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 TD_{50} value is a Harmonic Mean
calculated using the TD_{50} value from the most potent
target site in each positive experiment.

Superscripts: m = There is more than one
positive experiment in the species, and TD_{50} values from
each positive experiment are used in the calculation of the
reported Harmonic mean of TD_{50}. v = Variation is greater than ten-fold among
statistically significant (two-tailed *p*<0.1)
TD_{50} 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 (TD_{50}) 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) TD_{50} estimation
for a standard lifespan. See Methods for
other details.

TD_{50} provides a standardized
quantitative measure that can be used for comparisons and analyses
of many issues in carcinogenesis. The range of TD_{50}
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.

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

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 TD_{10} (LTD_{10}) are readily calculated from
the TD_{50} and its lower confidence limit, which are
reported in the CPDB. For researchers and regulatory agencies
interested in LTD_{10} 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 Specialized Information Services (tehip@teh.nlm.nih.gov).

Last updated: October 3, 2007

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