-
Name
3-Heptanol
- EINECS 209-661-1
- CAS No. 589-82-2
- Article Data128
- CAS DataBase
- Density 0.818 g/mL at 25 °C(lit.)
- Solubility insoluble in water; soluble in alcohol
- Melting Point -70℃
- Formula C7H16 O
- Boiling Point 66 °C20 mm Hg(lit.)
- Molecular Weight 116.203
- Flash Point 130 °F
- Transport Information UN 1987 3
- Appearance colourless oily liquid with a powerful, herbaceous odour
- Safety Moderately toxic by ingestion. Moderately toxic skin contact. A moderate skin and severe eye irritant. Flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
- Risk Codes 22
-
Molecular Structure
- Hazard Symbols Toxic by ingestion. Moderate fire risk.
- Synonyms (?à)-3-Heptanol; 1-Ethyl-1-pentanol;3-Hydroxyheptane; DL-3-Heptanol; NSC 2586
- PSA 20.23000
- LogP 1.94750
3-Heptanol Chemical Properties
Molecular Structure of 3-Heptanol (589-82-2):
EINECS: 209-661-1
IUPAC Name: Heptan-3-ol
Molecular Formula: C7H16O
Molecular Weight: 116.201340 g/mol
XLogP3: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CCCCC(CC)O
InChI: InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChIKey: RZKSECIXORKHQS-UHFFFAOYSA-N
Index of Refraction: 1.42
Molar Refractivity: 35.97 cm3
Molar Volume: 141.9 cm3
Surface Tension: 27.3 dyne/cm
Density: 0.818 g/cm3
Flash Point: 54.4 °C
Enthalpy of Vaporization: 45.82 kJ/mol
Boiling Point: 156.7 °C at 760 mmHg
Vapour Pressure: 1.03 mmHg at 25 °C
Water Solubility: mg/L at 25 °C
Refractive Index: n20/D 1.421(lit.)
BRN: 1719067
3-Heptanol Toxicity Data With Reference
| 1. | skn-rbt 10 mg/24H open MLD | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
| 2. | eye-rbt 20 mg open SEV | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
| 3. | orl-rat LD50:1870 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
| 4. | skn-rbt LD50:4360 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. |
3-Heptanol Consensus Reports
Reported in EPA TSCA Inventory.
3-Heptanol Safety Profile
Safety Information of 3-Heptanol (589-82-2):
Hazard Codes: Xn .gif){kind=small}
Risk Statements: 22
22: Harmful if swallowed
Safety Statements: 23-24/25
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24/25: Avoid contact with skin and eyes
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
RTECS: MJ3150000
Moderately toxic by ingestion. Moderately toxic skin contact. A moderate skin and severe eye irritant. Flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
3-Heptanol Specification
3-Heptanol (589-82-2) is also known as 3-Hydroxyheptane ; 4-01-00-01741 (Beilstein Handbook Reference) ; AI3-21994 ; Butyl ethyl carbinol ; Ethyl butyl carbinol ; FEMA No. 3547 ; NSC 2586 . 3-Heptanol (589-82-2) is mainly used as organic solvent and paint thinner.
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