allyl alcohol

Synonyms: "2-propen-1-ol", "prop-2-en-1-ol", "vinylcarbinol", "2-propenyl alcohol", "3-hydroxypropene", "2-propenol", "allylic alcohol", "1-propen-3-ol", "vinyl carbinol", "propenyl alcohol", "allylalkohol", "propenol", "1-propenol-3", "propen-1-ol-3".

Source: Allyl alcohol is used industrially in the preparation of resins, plasticizers, pharmaceuticals and many organic compounds.


IUPAC Name: prop-2-en-1-ol
CAS Number: 107-18-6
PubChem ID: 7858
Canonical SMILES: C=CCO

Structural Properties:

Molecular Formula: C3H6O
Molecular Weight: 58.080

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 4


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Becker RA, Bergfelt DR, Borghoff S, Davis JP, Hamby BT, O'Connor JC, Kaplan AM, Sloan CS, Tyl RW, Wade M, Marty MS. 2012. Interlaboratory Study Comparison of the 15?Day Intact Adult Male Rat Screening Assay: Evaluation of an Antithyroid Chemical and a Negative Control Chemical. Birth Defects Research Part B: Developmental and Reproductive Toxicology. 95(1):63-78. DOI: 10.1002/bdrb.20343. URL:
Irwin RD. 2006. NTP Technical Report on the comparative toxicity studies of allyl acetate (CAS No. 591-87-7), allyl alcohol (CAS No. 107-18-6) and acrolein (CAS No. 107-02-8) administered by gavage to F344/N rats and B6C3F1 mice. Toxicity report series. (48):1-73. URL: SA. 2001. Effect of glutathione (GSH) depletion on the serum levels of triiodothyronine (T3), thyroxine (T4), and T3/T4 ratio in allyl alcohol-treated male rats and possible protection with zinc. International journal of toxicology. 20(1):15-20. URL:
O'Connor JC, Sue Marty M, Becker RA, Snajdr S, Michael Kaplan A. 2008. Results of the negative control chemical allyl alcohol in the 15?day intact adult male rat screening assay for endocrine activity. Birth Defects Research Part B: Developmental and Reproductive Toxicology. 83(2):117-22. DOI: 10.1002/bdrb.20152. URL: +unexpected+issue+that+occurred+on+Saturday+and+Sunday+January+20th+and+21st+that+caused+the+site+to+be+down+for+an+extended+period+of+tim.
Pellinen P, Stenback F, Rautio A, Pelkonen O, Lang M, Pasanen M. 1993. Response of mouse liver coumarin 7-hydroxylase activity to hepatotoxins: dependence on strain and agent and comparison to other monooxygenases. Naunyn-Schmiedeberg's archives of pharmacology. 348(4):435-43. DOI: 10.1007/BF00171345. URL: VL, Hales BF. 1985. Teratogenicity and embryolethality of acrolein and structurally related compounds in rats. Teratology. 32(1):65-72. DOI: 10.1002/tera.1420320110. URL: +unexpected+issue+that+occurred+on+Saturday+and+Sunday+January+20th+and+21st+that+caused+the+site+to+be+down+for+an+extended+period+o.

External Links