Welcome to our website!
Deutsche Español français italiano português 日本語 한국어 العربية русский bahasa Indonesia Tiếng Việt

Product Catalog

Rapid Product Index

Recommended Products

Friend Links

Your Location：Home>Product Center >> Pesticide API and intermediates >> 6-Hexanolactone
  • 6-Hexanolactone
Name:6-Hexanolactone
CAS No:502-44-3

PRODUCT DESCRIPTION

【Name】
6-Hexanolactone
【CAS Registry number】
502-44-3
【Synonyms】
Hexanoicacid, 6-hydroxy-, lactone (6CI)
1,6-Hexanolide
2-Oxooxopane
6-Hexanolide
6-Hydroxyhexanoic acid lactone
Caprolactone
Caprolactone A
Epsilon-caprolactone
Hexamethylene oxide, 2-oxo-
Hexanoic acid, 6-hydroxy-, e-lactone
Nyrim 1 Additive 6
Placcel M
Tone ECEQ
Tone Monomer EC
e-Caprolactone
e-Hexanolactone
【EINECS(EC#)】
207-938-1
【Molecular Formula】
C6H10O2 (Products with the same molecular formula)
【Molecular Weight】
114.14
【Inchi】
InChI=1/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
【InChIKey】
PAPBSGBWRJIAAV-UHFFFAOYSA-N
【Canonical SMILES】
C1CCC(=O)OCC1
【MOL File】
502-44-3.mol

Chemical and Physical Properties

【Appearance】
Clear colorless liquid, yellowing on ageing
【Density】
1.03
【Melting Point】
-1℃
【Boiling Point】
235.3-97.4℃
【Refractive Index】
1.462-1.464
【Flash Point】
109℃
【Water】
>1000 mg/L (20℃)
【Solubilities】
>1000 mg/L (20 oC)
【Spectral properties】
IR: 14710 (Sadtler Research Laboratories Prism Collection)
NMR: 18781 (Sadtler Research Laboratories Spectral Collection)
MASS: 398 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
【Computed Properties】
Molecular Weight:114.1424 [g/mol]
Molecular Formula:C6H10O2
XLogP3:0
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:114.06808
MonoIsotopic Mass:114.06808
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Formal Charge:0
Complexity:88.5
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/38
【Safety Statements 】
S26;S37/39
【Octanol/Water Partition Coefficient】
log Kow= 1.215 (calc)

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

REACTION PRODUCT OF PERACETIC ACID & CYCLOHEXANONE; AN INTERMEDIATE PRODUCT IN MFR OF CAPROLACTAM.
U.S. Imports

(1983) 4.30X10+8 g /4-Caprolactone/

Biomedical Effects and Toxicity

【Therapeutic Uses】
The incorporation of estramustine into biodegradable waxy type copolyesters, prepared by direct copolycondensation of epsilon-caprolactone and delta-valerolactone in the absence of catalysts, to apply as implantable matrices for drug delivery systems, is described and the in vivo capability of the implantable device was evaluated by implanting into the back of male rats. The copolyesters are much more subject to erosion than their homopolyesters, in which the degradation is further accelerated by the action of lipase type enzyme. The drug release, although accompanying a burst phenomenon in the initial stage, was kept constant throughout an experimental period of 19 wk from the first to twentieth wk. In this case, the release pattern was parallel to the degradation pattern, in support of the release being the rate-limiting step in the degradation of the polymer. The results showed about 75% of the initial drug content was still present in the device even after 20 wk of implantation. This finding means that the biodegradable poly(epsilon-caprolactone-co-delta-valerolactone) wax is useful as an implantable matrix for a drug delivery system which controls the release over a relatively long period of time. The in vivo activity of the drug was demonstrated by observing atrophy of the seminal vesicles and ventral prostate in male rats 10 wk after implantation.
The release of levonorgestrel from a poly(epsilon-caprolactone) capsule implanted subdermally in 8 women was studied over 5 menstrual cycles. All subjects except one experienced suppression of ovulation while the capsule was in place (one cycle). The capsules contained 16 mg of drug and 61 mg of ethyl oleate as a suspending vehicle. There was a wide range of serum levels of the drug. Suppression of ovulation appeared to occur at a serum level of 300 pg/ml or greater. [Ory SJ et al; Am J Obstet Gynecol 145 (Mar 1): 600-5 (1983)]

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: There are no biodegradation studies in soil to indicate whether biodegradation of caprolactone may be significant. An estimated Koc value of 109.1(1) suggests high mobility in soil(2,SRC).
AQUATIC FATE: Volatilization half-lives for caprolactone of 0.35 and 3.9 days have been estimated for a model river (one meter deep) and a model environmental pond, respectively(1-2). An estimated Koc of 109.1 and BCF of 4.94 for caprolactone indicate that adsorption to sediment and bioconcentration in aquatic organisms are not important fate processes(1). No information on biodegradation of caprolactone was available(SRC).
ATMOSPHERIC FATE: Based on a measured vapor pressure of 1.35X10-1 mm Hg at 25 deg C(1), caprolactone can be expected to exist almost entirely in the vapor-phase in the ambient atmosphere(SRC). Vapor-phase caprolactone is degraded slowly in the ambient atmosphere by reaction with photochemically formed hydroxyl radicals; the half-life for this reaction in air can be estimated to be about 2.76 days(2,SRC).

RELATED PRODUCTS

Customer Service Hotline
Tel:+86 519 82111935
Email:info@feifanchem.com
Mobile:+86 15195055733(whats)
Address:No.4 HouYang chemical industrial park.Changzhou,Jiangsu,province,P.R.China.
CopyRight 2022 Extraordinary Pharmatech www.feifanchem.com     

  Send Email

Skype  Skype

3391543003  3391543003

 +86 15195055733

LiveChatclose