3-Heptanol Structure

3-Heptanol

Chemical Properties

Melting point -70°C
Boiling point 66 °C/20 mmHg (lit.)
Density  0.821 g/mL at 20 °C 0.818 g/mL at 25 °C (lit.)
FEMA  3547 | 3-HEPTANOL
refractive index  n20/D 1.421(lit.)
FLAVIS Number 02.044 | Heptan-3-ol
Flash point 130 °F
storage temp.  2-8°C
solubility  Chloroform, Methanol (Sparingly)
pka 15.31±0.20(Predicted)
color  Colorless to Almost colorless
Odor at 1.00 % in dipropylene glycol. powerful herbal
Odor Type herbal
biological source synthetic
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
CAS DataBase Reference 589-82-2(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 3-HEPTANOL
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII 12YBT48HMK
EPA Substance Registry System 3-Heptanol (589-82-2)
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H226-H302
Precautionary statements P210-P301+P312+P330
Hazard Codes  Xn
Risk Statements  22
Safety Statements  23-24/25
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
NFPA 704:
2
0 0

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