830-13-7

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830-13-7 Structure

Identification	More
[Name] CYCLODODECANONE
[CAS] 830-13-7
[Synonyms] CYCLODODECAN-1-ONE CYCLODODECANONE CYCLODODECANONE, 99+% Cyclododecanon 1-Cyclododecanone
[EINECS(EC#)] 212-595-6
[Molecular Formula] C12H22O
[MDL Number] MFCD00003722
[Molecular Weight] 182.3
[MOL File] 830-13-7.mol

Chemical Properties	Back Directory
[Appearance] COLOURLESS TO WHITE ADHERING CRYSTALS
[Melting point ] 59-61 °C (lit.)
[Boiling point ] 85 °C/1 mmHg (lit.)
[density ] 0.906 g/mL at 25 °C(lit.)
[vapor pressure ] <1 hPa (20 °C)
[refractive index ] 1.4571 (estimate)
[Fp ] 118 °C
[storage temp. ] Store below +30°C.
[solubility ] 0.045g/l
[form ] Adhering Crystals
[color ] Colorless to white
[Water Solubility ] 26mg/L at 20℃
[BRN ] 508621
[InChI] 1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
[InChIKey] SXVPOSFURRDKBO-UHFFFAOYSA-N
[SMILES] O=C1CCCCCCCCCCC1
[LogP] 4.1 at 20℃
[CAS DataBase Reference] 830-13-7(CAS DataBase Reference)
[EPA Substance Registry System] Cyclododecanone (830-13-7)

Safety Data	Back Directory
[Symbol(GHS) ] GHS09
[Signal word ] Danger
[Hazard statements ] H411
[Precautionary statements ] P273-P391-P501
[Hazard Codes ] N
[Risk Statements ] R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ] S60:This material and/or its container must be disposed of as hazardous waste . S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ] UN 3077 9/PG 3
[WGK Germany ] 2
[RTECS ] GU2301520
[Autoignition Temperature] 230 °C
[TSCA ] Yes
[REACH Registrations] Active
[HazardClass ] 9
[PackingGroup ] III
[HS Code ] 29142900
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Aquatic Chronic 2
[Hazardous Substances Data] 830-13-7(Hazardous Substances Data)
[Toxicity] LD50 orally in Rabbit: > 2500 mg/kg

Raw materials And Preparation Products	Back Directory
[Raw materials] Cyclododecanol
[Preparation Products] Cyclododecylamine-->Diphenyl ditelluride-->Oxacyclotridecan-2-one-->Cyclododecylideneacetic acid ethyl ester

Hazard Information	Back Directory
[Chemical Properties] COLOURLESS TO WHITE ADHERING CRYSTALS
[Uses] Cyclododecanone is a general chemical reagent used in organic synthesis.
[Definition] ChEBI: Cyclododecanone is a cyclic ketone.
[Synthesis Reference(s)] Tetrahedron Letters, 24, p. 2669, 1983 DOI: 10.1016/S0040-4039(00)87973-3 Chemical and Pharmaceutical Bulletin, 32, p. 1840, 1984 DOI: 10.1248/cpb.32.1840 Synthetic Communications, 26, p. 1651, 1996 DOI: 10.1080/00397919608002601

Spectrum Detail	Back Directory
[Spectrum Detail] CYCLODODECANONE(830-13-7)MS CYCLODODECANONE(830-13-7)¹HNMR CYCLODODECANONE(830-13-7)¹³CNMR CYCLODODECANONE(830-13-7)IR1 CYCLODODECANONE(830-13-7)IR2 CYCLODODECANONE(830-13-7)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] Cyclododecanone, 99+%(830-13-7)
[Alfa Aesar] Cyclododecanone, 99%(830-13-7)
[Sigma Aldrich] 830-13-7(sigmaaldrich)
[TCI AMERICA] Cyclododecanone,>99.0%(GC)(830-13-7)

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