589-82-2

Name 3-HEPTANOL
CAS 589-82-2
EINECS(EC#) 209-661-1
Molecular Formula C7H16O
MDL Number MFCD00004586
Molecular Weight 116.2
MOL File 589-82-2.mol
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Chemical Properties

Melting point  -70°C
Boiling point  66 °C/20 mmHg (lit.)
density  0.818 g/mL at 25 °C(lit.)
FEMA  3547
refractive index  n20/D 1.421(lit.)
Fp  130 °F
storage temp.  2-8°C
solubility  Chloroform, Methanol (Sparingly)
form  neat
pka 15.31±0.20(Predicted)
color  Colorless to Almost colorless
Odor at 1.00 % in dipropylene glycol. powerful herbal
biological source synthetic
Odor Type herbal
Water Solubility  3.984g/L(25 ºC)
JECFA Number 286
BRN  1719067
Henry's Law Constant 3.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 6.8600000000000003
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChIKey RZKSECIXORKHQS-UHFFFAOYSA-N
SMILES CCCCC(O)CC
LogP 2.29
Uses
Flotation frother, solvent and diluent in organic coatings, intermediates.
CAS DataBase Reference 589-82-2(CAS DataBase Reference)
EPA Substance Registry System 3-Heptanol (589-82-2)
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Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 1987 3/PG 3
WGK Germany  3
RTECS  MJ3150000
TSCA  TSCA listed
HS Code  2905.19.9090
HazardClass  3
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Flam. Liq. 3
Toxicity
The acute oral LD50 was reported as 4.3 g/kg and 6 g/kg in mice and as 3.25 g/kg in rats . The acute dermal LD50 in rabbits was reported as > 5 g/kg . The acute inhalation LC 50 in mice was reported as 6.6 mg/litre

Hazard Information

Material Safety Data Sheet(MSDS)

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