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CAS No.: | 543-49-7 |
---|---|
Name: | 2-Heptanol |
Article Data: | 171 |
Molecular Structure: | |
Formula: | C7H16O |
Molecular Weight: | 116.203 |
Synonyms: | Isoheptanol; |
EINECS: | 208-844-3 |
Density: | 0.818 g/cm3 |
Melting Point: | -30.15°C |
Boiling Point: | 159.4 °C at 760 mmHg |
Flash Point: | 64.4 °C |
Solubility: | 0.35 g/100 mL in water |
Appearance: | Colorless liquid |
Hazard Symbols: | Xn |
Risk Codes: | 21-36 |
Safety: | 36/37-36/37/39-26 |
Transport Information: | UN 1987 3/PG 3 |
PSA: | 20.23000 |
LogP: | 1.94750 |
Structure of 2-Heptanol (CAS NO.543-49-7):
IUPAC Name: heptan-2-ol
Empirical Formula: C7H16O
Molecular Weight: 116.2013
EINECS: 208-844-3
Index of Refraction: 1.42
Molar Refractivity: 35.97 cm3
Molar Volume: 141.9 cm3
Polarizability: 14.26×10-24cm3
Surface Tension: 27.3 dyne/cm
Density: 0.818 g/cm3
Flash Point: 64.4 °C
Enthalpy of Vaporization: 46.12 kJ/mol
Boiling Point: 159.4 °C at 760 mmHg
Vapour Pressure: 0.886 mmHg at 25°C
Water Solubility: 0.35 g/100 mL
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.
Physical Appearance: colourless liquid
Canonical SMILES: CCCCCC(C)O
InChI: InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey: CETWDUZRCINIHU-UHFFFAOYSA-N
2-Heptanol (543-49-7) is used as intermediate of complex solubilizer, plasticiser, wetting agent, medicine and spice, as well as analytical chemistry reagent.
1. | skn-rbt 10 mg/24H open MLD | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
2. | eye-rbt 250 µg open SEV | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
3. | orl-rat LD50:2580 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
4. | skn-rbt LD50:1780 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. |
Reported in EPA TSCA Inventory.
Hazard Codes: Xn
Risk Statements: 21-36
R21:Harmful in contact with skin.
R36:Irritating to eyes.
Safety Statements: 36/37-36/37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
RTECS: MJ2975000
HazardClass: 3
PackingGroup: III
HS Code: 29051900
Moderately toxic by ingestion and skin contact. A skin and severe eye irritant. Combustible when exposed to heat and flame; can react vigorously with oxidizers. To fight fire, use foam, CO2, dry chemical. 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..
2-Heptanol , its cas register number is 543-49-7. It also can be called 1-Methylhexanol ; 2-Heptyl alcohol ; 2-Hydroxyheptane ; 3-01-00-01685 (Beilstein Handbook Reference) ; Amyl methyl carbinol ; Heptanol-2 ; Heptyl alcohol, sec- ; Methyl amyl carbinol ; s-Heptyl alcohol .