Product
Supplier
Encyclopedia
Inquiry
Home > Encyclopedia > Cycloheptanone

Cycloheptanone

Cycloheptanone structure

Cycloheptanone 

structure
  • CAS No:

    502-42-1

  • Formula:

    C7H12O

  • Chemical Name:

    Cycloheptanone

  • Synonyms:

    Cycloheptanone;Ketocycloheptane;Ketoheptamethylene;Suberone;Suberon;NSC 9471

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

clear colorless to yellow liquid

Cycloheptanone Basic Attributes

112.172

112.17

207-937-6

QH80295937

9471

DTXSID8060113

2914299000

Characteristics

17.1

1.33

0.9508 g/cm3 @ Temp: 20 °C

<25 °C

178.5 °C

55.6±0.0 °C

1.450

INSOL IN WATER; SOL IN ETHER, VERY SOL IN ALCOHOL

1.25 mmHg

DIPOLE MOMENT: 2.98

Safety Information

III

3

UN 1987 3/PG 3

3

R10

S23-S24/25

GU3325000

Xi

VOLATILE.

P280-P305 + P351 + P338

H226-H302-H318

KETONES ARE GENERALLY QUITE STABLE CHEMICALLY BUT ALL OF THEM ARE FLAMMABLE TO SOME DEGREE. IT IS IMPORTANT...THAT DUE CONSIDERATION BE GIVEN TO THIS PROPERTY IN THEIR INDUSTRIAL HANDLING. /KETONES/

Toxicity

RECENTLY IDENTIFIED COMPONENT OF COFFEE AROMA. /FROM TABLE/

ISOLATED FROM PROCESSED PORK LIVER WHEN PRESSURE COOKED @ 157 °C. /FROM TABLE/

INDUSTRIAL EXPOSURE TO COMMON KETONES IS MOST LIKELY TO BE THROUGH INHALATION OF VAPORS OR THROUGH CONTACT WITH LIQUIDS. SWALLOWING IS NOT LIKELY UNLESS THEY ARE STORED IN IMPROPERLY LABELED CONTAINERS. /KETONES/

Drug Information

EXPTL USE: SYNTHETIC ALPHA-METHYLENEBUTYROLACTONES AS POTENTIAL TUMOR INHIBITORS.

THEY DO NOT TEND TO ACCUMULATE IN BODY TISSUES... /ALICYCLIC HYDROCARBONS/

NOVEL MINOR (1-2%) METABOLITES...HAVE BEEN DETECTED IN RAT & RABBIT URINE. 2-HYDROXYCYCLOALKYLMERCAPTURIC ACIDS...WHICH WERE PRESENT AS...SULFATES ('DOUBLE CONJUGATES') ARE PRESUMABLY FORMED BY WAY OF DEHYDRATION OF THE CYCLOALKANOLS (MAJOR METABOLITE) TO CYCLOALKENES WITH SUBSEQUENT EPOXIDATION & MERCAPTURATION.

LIQUID ALICYCLIC HYDROCARBONS WILL DEHYDRATE & DELIPIDIZE SKIN ON REPEATED OR PROLONGED CONTACT & CAUSE DERMATITIS. DIRECT CONTACT...WITH LUNG TISSUE (ASPIRATION) WILL CAUSE PULMONARY EDEMA, PNEUMONITIS & HEMORRHAGE. VAPORS IN SUFFICIENT CONCN WILL CAUSE IRRITATION OF MUCOUS MEMBRANES. /ALICYCLIC HYDROCARBONS/|TOXICOLOGICALLY, THE ALICYCLIC HYDROCARBONS RESEMBLE THEIR OPEN CHAIN RELATIVES, THE ALIPHATIC HYDROCARBONS. IN GENERAL, THEY ARE ANESTHETICS & CNS DEPRESSANTS WITH A RELATIVELY LOW ORDER OF ACUTE TOXICITY. ...CUMULATIVE TOXICITY FROM REPEATED EXPOSURE TO LOW ATMOSPHERIC CONCN IS IMPROBABLE. /ALICYCLIC HYDROCARBONS/|KETONES, USED WIDELY AS SOLVENTS, HAVE NO CURRENT RECOGNIZED GENERAL TOXICOLOGICAL PROPERTIES...CYCLOHEXANONE & ITS ANALOGUES ARE NOT OF TOXIC IMPORTANCE, ALTHOUGH THEY MAY CAUSE TRANSIENT IRRITATION. /KETONES/

cycloheptanone

Cycloheptanone Use and Manufacturing

Methods of Manufacturing

PREPARED FROM CYCLOHEXANOL WITH 1-(AMINOMETHYL)CYCLOHEXANOL AS INTERMEDIATE: BLICKE ET AL, J AM CHEM SOC 74, 2924 (1952). OTHER METHODS: ORG SYN COLL VOL IV, 221-228 (1963).

Uses

AS FOOD ADDITIVE|/USED TO SYNTHESIZE/ (14)C-LABELLED FORMS OF THE SPASMOLYTIC AGENT 1-BENZYL-1-(3'-DIMETHYLAMINOPROPOXY)CYCLOHEPTANE FUMARATE...

Cycloheptanone: ACTIVE

...METHOD OF ANALYSIS, VAPOR PHASE CHROMATOGRAPHY, IR & MASS SPECTROMETRY ARE METHODS OF PREFERENCE. /KETONES/

URINE SAMPLE; GLC METHOD.|CYCLIC AMINES, KETONES, & ALCOHOLS EXTRACTED FROM URINE, SEPARATED BY GAS CHROMATOGRAPHY & QUANTITATIVELY DETERMINED FROM STD CURVES BASED ON PEAK HEIGHTS RELATIVE TO THOSE OF ALKANES USED AS INTERNAL STD.

Computed Properties

Molecular Weight:112.17
XLogP3:1.4
Hydrogen Bond Acceptor Count:1
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:76.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Recommended Suppliers of Cycloheptanone

Latest News on Cycloheptanone

Scan the QR Code to Share

Feedback & Suggestions
Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.