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(+)-2-Heptanol

(+)-2-Heptanol structure

CAS No:
6033-23-4
Formula:
C7H16O
Chemical Name:
(+)-2-Heptanol
Synonyms:
2-Heptanol,(2S)-;2-Heptanol,(+)-;2-Heptanol,(S)-;(2S)-2-Heptanol;d-Amylmethylcarbinol;d-2-Heptanol;d-2-Hydroxyheptane;(+)-2-Heptanol;(S)-2-Heptanol;(S)-(+)-2-Heptanol;(2S)-Heptan-2-ol
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

Colorless to light yellow liqui

(2S)-2-heptanol is a secondary alcohol that is heptane substituted by a hydroxy group at position 2 (the 2S-stereoisomer). It has a role as a metabolite. It is a secondary alcohol, a fatty alcohol and a secondary fatty alcohol.

(+)-2-Heptanol Basic Attributes

Molecular Weight：

116.20100

Exact Mass：

116.20

UNII：

7XQ9F7KYPW

HScode：

2905199090

Characteristics

PSA：

20.23000

XLogP3：

1.94750

Density：

0.835 g/cm³ @ Temp: 25 °C

Melting Point：

-30.45°C (estimate)

Boiling Point：

157.0-159.5 °C

Flash Point：

64ºC

Refractive Index：

1.421

Water Solubility：

Soluble in water(3569 mg/L at 25°C).

Vapor Pressure：

1 mm Hg ( 15 °C)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN1987

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H226 (26.92%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 52 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(+)-2-Heptanol Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty alcohols [FA05]

Computed Properties

Molecular Weight:116.20
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:116.120115130
Monoisotopic Mass:116.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:43.7
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes