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2,2-Bis(bromomethyl)-1,3-propanediol, technical grade (CAS 3296-90-0)
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
eso ezy hmo lgi lun mgl orc per ski smi sto sub tes thy ubl eso mgl orc thy hag kid lun hag lun sub 111m 137m

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:   eso = esophagus. ezy = ear/Zymbal’s gland. hag = harderian gland. hmo = hematopoietic system. kid = kidney. lgi = large intestine. lun = lung. mgl = mammary gland. orc = oral cavity (includes tissues of the mouth, oropharynx, pharynx, and larynx). per = peritoneal cavity. ski = skin. smi = small intestine. sto = stomach. sub = subcutaneous tissue. tes = testes. thy = thyroid gland. ubl = urinary bladder. 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.

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.

2,2-Bis(bromomethyl)-1,3-propanediol, technical grade: 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

2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL, TECHNICAL GRADE (DIBROMONEOPENTYL GLYCOL) 3296-90-0 732 M f b6c eat 24m25 TR452 : 0 39.9mg 79.9mg 160.mg MXB MXB 67.8mg * P<.0005 45.6mg 118.mg 8/52 17/50 27/51 32/50 hag:ade,anb,car; lun:a/a,a/c; sub:fbs,sar. C hag MXA 122.mg * P<.0005 c 76.2mg 254.mg 3/52 12/50 13/51 19/50 hag:ade,anb,car. lun MXA 127.mg * P<.0005 c 77.3mg 263.mg 5/52 5/50 15/51 19/50 lun:a/a,a/c. lun a/a 171.mg Z P<.0005 101.mg 367.mg 3/52 3/50 9/51 17/50 S hag MXA 187.mg * P<.0005 109.mg 429.mg 2/52 6/50 8/51 15/50 hag:ade,anb. S sub MXA 322.mg * P<.0005 c 176.mg 656.mg 0/52 1/50 4/51 12/50 sub:fbs,sar. hag car 323.mg * P<.003 161.mg 2.27gm 1/52 6/50 5/51 7/50 S sub sar 350.mg * P<.0005 c 188.mg 737.mg 0/52 1/50 4/51 11/50 lun a/c 398.mg * P<.008 176.mg 9.86gm 2/52 2/50 6/51 5/50 S for sqp 446.mg * P<.002 e 206.mg 1.90gm 0/52 1/50 5/51 3/50 liv hpa 301.mg Z P<.05 116.mg n.s.s. 16/52 12/50 5/51 16/50 S --- MXA 846.mg * P<.03 e 307.mg n.s.s. 1/52 2/50 0/51 5/50 ---:hem,hes. mgl car 1.48gm * P<.02 e 472.mg n.s.s. 0/52 0/50 1/51 3/50 --- hes 1.48gm * P<.02 437.mg n.s.s. 0/52 0/50 0/51 3/50 S TBA MXB 57.3mg * P<.0005 33.5mg 153.mg 35/52 42/50 43/51 42/50 liv MXB 267.mg Z P<.08 99.3mg n.s.s. 20/52 19/50 9/51 18/50 liv:hpa,hpb,hpc. lun MXB 127.mg * P<.0005 77.3mg 263.mg 5/52 5/50 15/51 19/50 lun:a/a,a/c. 733 M m b6c eat 24m24 TR452 : 0 37.2mg 74.4mg 149.mg MXB MXB 106.mg * P<.0005 60.8mg 321.mg 18/50 18/51 28/50 37/49 hag:ade,anb,car,cnb; kid:rua; lun:a/a,a/c. C hag MXA 155.mg * P<.0005 c 96.0mg 347.mg 4/50 7/51 16/50 22/49 hag:ade,anb,car,cnb. hag MXA 191.mg * P<.0005 114.mg 481.mg 3/50 6/51 12/50 18/49 hag:ade,anb. S lun MXA 218.mg * P<.007 c 106.mg 3.37gm 15/50 11/51 16/50 25/49 lun:a/a,a/c. lun a/a 270.mg Z P<.005 133.mg 2.59gm 12/50 4/51 12/50 21/49 S lun a/c 334.mg * P<.008 161.mg 8.52gm 3/50 7/51 8/50 11/49 S for MXA 581.mg * P<.02 e 283.mg n.s.s. 0/50 3/51 3/50 4/49 for:sqc,sqp. thy fca 835.mg * P<.04 360.mg n.s.s. 0/50 3/51 0/50 4/49 S kid rua 1.19gm * P<.03 c 451.mg n.s.s. 0/50 0/51 3/50 2/49 TBA MXB 126.mg * P<.04 54.4mg n.s.s. 37/50 42/51 45/50 45/49 liv MXB 2.48gm * P<.9 144.mg n.s.s. 27/50 32/51 27/50 23/49 liv:hpa,hpb,hpc. lun MXB 218.mg * P<.007 106.mg 3.37gm 15/50 11/51 16/50 25/49 lun:a/a,a/c. 734 R f f34 eat 24m24 TR452 : 0 124.mg 248.mg 496.mg mgl fba 83.0mg * P<.0005 c 56.7mg 138.mg 25/50 45/51 46/53 45/52 mgl MXA 83.0mg * P<.0005 56.7mg 138.mg 25/50 45/51 46/53 45/52 mgl:ade,fba. S mgl MXA 83.8mg * P<.0005 c 57.0mg 141.mg 27/50 47/51 47/53 47/52 mgl:ade,car,fba. MXB MXB 84.3mg * P<.0005 57.2mg 142.mg 28/50 47/51 48/53 47/52 eso:sqp; mgl:ade,car,fba; pal:sqc,sqp; thy:fca, fcc; ton:sqc,sqp. C pit pda 300.mg * P<.002 155.mg 1.43gm 16/50 24/51 24/53 15/52 S --- mnl 406.mg * P<.0005 220.mg 1.38gm 15/50 13/51 19/53 19/52 S MXA MXA 1.01gm * P<.003 c 452.mg 7.37gm 2/50 3/51 5/53 6/52 pal:sqc,sqp; ton:sqc,sqp. MXA sqp 1.24gm * P<.008 505.mg 29.9gm 2/50 2/51 4/53 5/52 pal:sqp; ton:sqp. S ton MXA 1.26gm * P<.004 539.mg 9.28gm 1/50 2/51 4/53 5/52 ton:sqc,sqp. S ton sqp 1.36gm * P<.007 559.mg 27.0gm 1/50 2/51 4/53 4/52 S eso sqp 1.41gm Z P<.0005 c 669.mg 3.36gm 0/50 0/51 1/53 10/52 thy MXA 1.67gm * P<.002 c 641.mg 7.11gm 0/50 0/51 2/53 4/52 thy:fca,fcc. thy fca 2.16gm * P<.004 763.mg 14.7gm 0/50 0/51 2/53 3/52 S ute MXA 859.mg * P<.03 349.mg n.s.s. 5/50 9/51 6/53 6/52 ute:esp,ess. S ute esp 904.mg * P<.03 366.mg n.s.s. 5/50 8/51 6/53 6/52 S sub MXA 1.37gm * P<.02 531.mg n.s.s. 2/50 4/51 1/53 6/52 sub:fbs,fib,sar. S sub MXA 4.20gm Z P<.04 1.16gm n.s.s. 1/50 0/51 0/53 4/52 sub:fbs,sar. S TBA MXB 94.4mg * P<.0005 61.0mg 179.mg 45/50 51/51 53/53 52/52 liv MXB no dre P=1. n.s.s. n.s.s. 0/50 0/51 0/53 0/52 liv:hpa,hpb,hpc. 735 R m f34 eat 24m24 TR452 : 0 99.4mg 199.mg 398.mg tes MXA 66.5mg Z P<.0005 41.6mg 132.mg 49/51 48/53 51/51 51/55 tes:iab,ica. S MXB MXB 68.1mg * P<.0005 44.9mg 117.mg 33/51 37/53 49/51 52/55 ---:mnl,msm; col:adp; eso:sqp; gnv:sqc; jej:car; lun:a/a,a/c; mgl:ade,fba; pal:sqp; ski:bca,bcc,ker,sqc,sqp,tri; sub:fbs,fib,sar; thy:fca,fcc; ton: sqp; ubl:tcc,tpp; zym:ade,car. C --- mnl 95.8mg * P<.0005 c 58.8mg 194.mg 27/51 29/53 40/51 34/55 ski MXA 166.mg Z P<.0005 c 103.mg 300.mg 4/51 6/53 14/51 24/55 ski:bca,bcc,ker,sqc,sqp,tri. pni MXA 208.mg Z P<.006 86.1mg 2.46gm 1/51 8/53 (1/51 0/55) pni:isa,isc. S sub MXA 221.mg * P<.0005 c 131.mg 437.mg 2/51 9/53 13/51 16/55 sub:fbs,fib,sar. ski ker 235.mg Z P<.0005 135.mg 488.mg 3/51 5/53 11/51 16/55 S mgl MXA 262.mg * P<.0005 c 143.mg 542.mg 0/51 4/53 7/51 7/55 mgl:ade,fba. sub fib 271.mg * P<.0005 156.mg 568.mg 2/51 8/53 11/51 15/55 S mgl fba 275.mg * P<.0005 147.mg 597.mg 0/51 4/53 6/51 6/55 S MXA MXA 285.mg * P<.0005 c 157.mg 555.mg 0/51 4/53 9/51 10/55 gnv:sqc; pal:sqp; ton:sqp. MXA sqp 300.mg * P<.0005 163.mg 601.mg 0/51 4/53 8/51 10/55 pal:sqp; ton:sqp. S --- msm 335.mg * P<.0005 c 177.mg 690.mg 0/51 3/53 8/51 9/55 ton sqp 500.mg * P<.0005 239.mg 1.19gm 0/51 2/53 5/51 8/55 S pan ana 516.mg * P<.003 e 218.mg 3.81gm 1/51 2/53 4/51 3/55 thy MXA 629.mg * P<.0005 c 280.mg 2.10gm 0/51 2/53 6/51 3/55 thy:fca,fcc. ski MXA 720.mg Z P<.0005 319.mg 2.10gm 0/51 1/53 2/51 6/55 ski:bca,bcc,tri. S lun MXA 729.mg * P<.003 c 287.mg 5.65gm 1/51 1/53 3/51 4/55 lun:a/a,a/c. pal sqp 808.mg * P<.005 314.mg 8.16gm 0/51 2/53 3/51 2/55 S col adp 997.mg * P<.0005 c 386.mg 3.80gm 0/51 0/53 3/51 4/55 sub MXA 1.08gm * P<.003 381.mg 7.58gm 0/51 1/53 2/51 3/55 sub:fbs,sar. S ski MXA 1.13gm * P<.005 376.mg 12.3gm 1/51 0/53 2/51 5/55 ski:sqc,sqp. S ski sqp 1.13gm * P<.005 376.mg 12.3gm 1/51 0/53 2/51 5/55 S lun a/c 1.30gm Z P<.006 403.mg 18.8gm 0/51 1/53 0/51 3/55 S eso sqp 1.39gm * P<.0005 c 472.mg 5.95gm 0/51 0/53 1/51 5/55 ski bca 1.53gm * P<.007 483.mg 28.5gm 0/51 1/53 0/51 3/55 S sub sar 1.55gm * P<.004 499.mg 11.5gm 0/51 0/53 2/51 3/55 S kid rua 1.55gm * P<.004 e 532.mg 11.4gm 0/51 0/53 1/51 3/55 zym ade 1.95gm * P<.007 532.mg 31.5gm 0/51 0/53 1/51 3/55 S ubl MXA 2.32gm * P<.009 c 577.mg 79.4gm 0/51 0/53 1/51 3/55 ubl:tcc,tpp. pit MXA 462.mg * P<.03 177.mg n.s.s. 7/51 10/53 6/51 6/55 pit:pda,pdc. S pit pda 493.mg * P<.04 187.mg n.s.s. 7/51 9/53 6/51 6/55 S thy MXA 675.mg Z P<.05 236.mg n.s.s. 8/51 4/53 5/51 6/55 thy:cca,ccb,ccr. S pre MXA 793.mg * P<.05 276.mg n.s.s. 5/51 4/53 5/51 5/55 pre:ade,car. S pre ade 819.mg * P<.04 286.mg n.s.s. 3/51 3/53 4/51 4/55 S thy fcc 1.11gm * P<.02 388.mg n.s.s. 0/51 1/53 4/51 1/55 S zym MXA 1.60gm * P<.03 c 547.mg n.s.s. 2/51 1/53 4/51 5/55 zym:ade,car. thy MXA 1.92gm * P<.05 580.mg n.s.s. 1/51 1/53 1/51 3/55 thy:ccb,ccr. S jej car 5.66gm * P<.04 c 1.35gm n.s.s. 0/51 0/53 0/51 2/55 for sqp 16.0gm * P<.2 2.60gm n.s.s. 0/51 0/53 0/51 1/55 sev MXA no dre P=1. n.s.s. n.s.s. 0/51 0/53 0/51 0/55 sev:ade,car. TBA MXB 63.8mg * P<.0005 40.7mg 120.mg 44/51 50/53 51/51 53/55 liv MXB 1.84gm * P<.5 453.mg n.s.s. 0/51 2/53 0/51 0/55 liv:hpa,hpb,hpc. 736 R m f34 eat 3m24 TR452a : () 0 99.5mg tes MXA 5.94mg P<.0005 3.14mg 12.2mg 49/51 59/60 tes:iab,ica. S ski MXA 16.9mg P<.0005 5.27mg 53.2mg 4/51 21/60 ski:bca,ker,sqc,sqp,tri. S ski MXA 21.7mg P<.0005 5.14mg 99.9mg 1/51 12/60 ski:sqc,sqp. S --- mnl 22.5mg P<.0005 9.89mg 69.4mg 27/51 25/60 S pre ade 22.8mg P<.0005 5.68mg 215.mg 3/51 4/60 S MXA MXA 24.0mg P<.0005 5.25mg 113.mg 0/51 13/60 pal:sqc,sqp; ton:sqp. S MXA sqp 24.6mg P<.0005 5.27mg 127.mg 0/51 12/60 pal:sqp; ton:sqp. S --- msm 28.4mg P<.0005 12.4mg 58.8mg 0/51 26/60 S ton sqp 30.8mg P<.0005 5.38mg 446.mg 0/51 6/60 S pre MXA 39.0mg P<.004 8.59mg 724.mg 5/51 4/60 pre:ade,car. S ski ker 42.5mg P<.0005 12.5mg 184.mg 3/51 10/60 S ski sqp 46.2mg P<.0005 12.5mg 164.mg 1/51 11/60 S lun MXA 52.4mg P<.0005 8.26mg 348.mg 1/51 7/60 lun:a/a,a/c. S ski MXA 64.6mg P<.0005 21.9mg 229.mg 0/51 7/60 ski:bca,tri. S lun a/a 73.1mg P<.004 8.47mg 1.42gm 1/51 4/60 S mgl fba 78.3mg P<.0005 26.8mg 330.mg 0/51 5/60 S ski bca 82.3mg P<.0005 24.3mg 348.mg 0/51 6/60 S thy MXA 82.6mg P<.0005 28.4mg 273.mg 0/51 9/60 thy:fca,fcc. S sub MXA 87.3mg P<.0005 18.4mg 430.mg 2/51 10/60 sub:fbs,fib,sar. S sub fib 111.mg P<.003 20.2mg 1.06gm 2/51 7/60 S pal sqp 115.mg P<.0005 34.3mg 434.mg 0/51 7/60 S thy fca 132.mg P<.0005 41.9mg 495.mg 0/51 7/60 S zym MXA 138.mg P<.0005 64.3mg 412.mg 2/51 15/60 zym:ade,car,cnb. S zym MXA 138.mg P<.0005 64.3mg 412.mg 2/51 15/60 zym:car,cnb. S MXA MXA 146.mg P<.0005 61.1mg 377.mg 0/51 11/60 col:adp,car; rec:adp. S MXA adp 152.mg P<.0005 62.1mg 415.mg 0/51 10/60 col:adp; rec:adp. S for sqp 217.mg P<.0005 c 72.9mg 1.00gm 0/51 5/60 ubl MXA 223.mg P<.007 53.3mg 6.51gm 0/51 2/60 ubl:tcc,tpp. S lun a/c 327.mg P<.007 85.0mg 5.55gm 0/51 3/60 S MXA MXA 363.mg P<.003 130.mg 2.05gm 0/51 5/60 ilm:car; jej:adp,car. S MXA car 445.mg P<.006 143.mg 5.40gm 0/51 4/60 ilm:car; jej:car. S pit pda 67.3mg P<.03 14.5mg n.s.s. 7/51 5/60 S pan ana 193.mg P<.05 16.8mg n.s.s. 1/51 3/60 S sev MXA h 453.mg P<.03 c 91.5mg n.s.s. 0/51 2/60 sev:ade,car. lun sqc 484.mg P<.02 111.mg n.s.s. 0/51 3/60 S sub MXA 654.mg P<.02 188.mg n.s.s. 0/51 3/60 sub:fbs,sar. S kid rua 970.mg P<.1 158.mg n.s.s. 0/51 1/60 eso sqp no dre P=1. n.s.s. n.s.s. 0/51 0/60 TBA MXB 6.25mg P<.0005 3.31mg 12.9mg 51/51 60/60 liv MXB 702.mg P<.08 114.mg n.s.s. 0/51 1/60 liv:hpa,hpb,hpc. 737 R f sss eat 24m24 1642 0 5.00mg 100.mg Keyes;jctx,7,77-98;1980 liv hph e 2.55gm * P<.5 - 409.mg n.s.s. 3/48 0/50 3/50 liv hpc e no dre P=1. - 49.1mg n.s.s. 1/48 0/50 0/50 tba mix e 1.73gm * P<1. - 23.6mg n.s.s. 47/50 49/50 48/50 738 R m sss eat 24m24 1642 0 5.00mg 100.mg liv hph e no dre P=1. - 49.1mg n.s.s. 1/50 0/50 0/50 liv hpc e no dre P=1. - 1.01gm n.s.s. 1/50 1/50 0/50 tba mix e no dre P=1. - 74.9mg n.s.s. 39/50 40/50 39/50

Mutagenicity in Salmonella: positive
SMILES Code for 2,2-Bis(bromomethyl)-1,3-propanediol, technical grade: OCC(CO)(CBr)CBr
InChI Code for 2,2-Bis(bromomethyl)-1,3-propanediol, technical grade: InChI=1/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
Source for SMILES and InChI: USEPA Distributed Structure-Searchable Toxicity (DSSTox) Database
Chemical Structure for 2,2-Bis(bromomethyl)-1,3-propanediol, technical grade: Chemical Structure
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.

  1. 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.
  2. A Screen version plot for use on a single computer screen, with the same data.
  3. Excel version of the same data.
  4. 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 Specialized Information Services (tehip@teh.nlm.nih.gov).
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