UNII:8AA944C37V

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Names

[ CAS No. ]:
698-76-0

[ Name ]:
UNII:8AA944C37V

[Synonym ]:
5-Hydroxyoctanoic Acid Lactone
MFCD00144051
2H-Pyran-2-one, tetrahydro-6-propyl-
Octalactone-1,5
FEMA No. 3214
EINECS 211-820-5
UNII:8AA944C37V
1,5-Octanolactone
5-Octanolide
6-Propyltetrahydro-2H-pyran-2-one

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
239.8±8.0 °C at 760 mmHg

[ Melting Point ]:
-14°C

[ Molecular Formula ]:
C8H14O2

[ Molecular Weight ]:
142.196

[ Flash Point ]:
92.2±15.9 °C

[ Exact Mass ]:
142.099380

[ PSA ]:
26.30000

[ LogP ]:
1.36

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.436

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ1355500
CHEMICAL NAME :
2H-Pyran-2-one, tetrahydro-6-propyl-
CAS REGISTRY NUMBER :
698-76-0
BEILSTEIN REFERENCE NO. :
0111515
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H14-O2
MOLECULAR WEIGHT :
142.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,783,1980 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,783,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,783,1980

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
UQ1355500

[ HS Code ]:
2932999099

Precursor & DownStream

Precursor

  • 4-Heptanol
  • carbon monoxide
  • 2-Propylcyclopentanone
  • Octanoic acid
  • 1-cyanoheptan-4-yl acetate
  • Pent-1-ene

DownStream

  • 2-Heptanone
  • heptane-2,4-dione
  • 4-hydroxyheptan-2-one
  • Phenethyl alcohol
  • methyl 5-hydroxyoctanoate
  • 5-(Acetyloxy)octanoic acid methyl ester
  • 5-oxooctanal

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%