Phorone

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Names

[ CAS No. ]:
504-20-1

[ Name ]:
Phorone

[Synonym ]:
2,5-Heptadien-4-one, 2,6-dimethyl-
Diisopropylidene acetone
2,6-Dimethyl-2,5-heptadien-4-one
MFCD00008901
2,6-Dimethyl-2,5-heptadiene-4-one
Diisobutenyl ketone
Phorone
Diisopropylideneacetone
EINECS 207-986-3
2,6-Dimethylhepta-2,5-dien-4-one

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
198.5±9.0 °C at 760 mmHg

[ Melting Point ]:
23-26 °C(lit.)

[ Molecular Formula ]:
C9H14O

[ Molecular Weight ]:
138.207

[ Flash Point ]:
79.4±0.0 °C

[ Exact Mass ]:
138.104462

[ PSA ]:
17.07000

[ LogP ]:
2.76

[ Vapour density ]:
4.8 (vs air)

[ Vapour Pressure ]:
0.4±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.454

[ Storage condition ]:
2~8℃

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MI5500000
CHEMICAL NAME :
2,5-Heptadien-4-one, 2,6-dimethyl-
CAS REGISTRY NUMBER :
504-20-1
BEILSTEIN REFERENCE NO. :
1699751
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H14-O
MOLECULAR WEIGHT :
138.23
WISWESSER LINE NOTATION :
1Y1&U1V1UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 56,346,1906

Safety Information

[ Hazard Codes ]:
Xi

[ WGK Germany ]:
3

[ RTECS ]:
MI5500000

[ HS Code ]:
2914190090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2914190090

[ Summary ]:
2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Related Compounds

  • phorone tetrabromide
  • 1-(4-methoxyphenyl)-2-(5-propyl-1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-amine
  • N-(1,3-benzodioxol-5-ylmethyl)-3-(3-oxo-2H-quinoxalin-2-yl)propanamide
  • 1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutanecarbonitrile
  • 1-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-1(2H)-yl)ethanone
  • 1-(1-Methyl-1H-1,2,4-triazol-5-yl)piperazine hydrochloride
  • 4-Methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine
  • 3-(Piperazin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine hydrochloride
  • tert-Butyl 3-(2-oxopropylidene)azetidine-1-carboxylate
  • (R)-N-(2-(3-((3-Hydroxypyrrolidin-1-yl)methyl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2-naphthamide hydrochloride
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