Chloranil

Solubility Profile: Benzyl alcohol demonstrates limited aqueous solubility while exhibiting high miscibility with organic solvents including ethanol, diethyl ether, benzene, and chloroform, reflecting substantial organic phase compatibility.

Natural Occurrence: As a natural constituent of essential oils such as jasmine and ylang-ylang, it contributes inherent value as a botanical ingredient in perfumery and fragrance compositions.

Olfactory Characteristics: Possesses a delicate floral aroma, rendering it suitable for incorporation in cosmetic formulations, fine fragrances, and other products requiring refined scent profiles.

Safety Considerations: Exhibits a well-established safety profile under recommended usage conditions, though appropriate handling measures remain advised due to potential dermal and mucosal irritation properties in industrial and cosmetic applications.


Product Details

Benzyl alcohol (systematically named phenylmethanol, C₆H₅CH₂OH) possesses a documented density of 1.045 g/mL at 25°C. Representing the fundamental structure of aromatic alcohols, this compound can be conceptually described as either a benzene ring bearing a hydroxymethyl substituent or a methanol molecule with phenyl substitution. It presents as a colorless, viscous liquid exhibiting a mild aromatic odor. During extended storage, oxidative processes may generate trace benzaldehyde, imparting a characteristic bitter almond aroma. The substance demonstrates polar character, relatively low toxicity, and reduced vapor pressure, supporting its utility as an alcoholic solvent, though it remains flammable. With limited aqueous solubility (approximately 1 g per 25 mL water), it demonstrates ready miscibility with organic solvents including ethanol, diethyl ether, benzene, and chloroform. Naturally occurring in essential oils—either in free form or esterified—it is identified in jasmine, ylang-ylang, plumeria, hyacinth, moonflower, Peru balsam, and Tolu balsam. The compound gradually undergoes atmospheric oxidation during storage, forming benzaldehyde and anisole derivatives, explaining the frequent presence of almond-like notes in commercial samples. Furthermore, benzyl alcohol undergoes oxidation to benzoic acid when treated with oxidizing agents such as concentrated nitric acid.

 Chloranil

Melting point 

-15 °C

Boiling point 

205 °C

density 

1.045 g/mL at 25 °C(lit.)

vapor density 

3.7 (vs air)

vapor pressure 

13.3 mm Hg ( 100 °C)

FEMA 

2137 | BENZYL ALCOHOL

refractive index 

n20/D 1.539(lit.)

Fp 

201 °F

storage temp. 

Store at +2°C to +25°C.

solubility 

H2O: 33 mg/mL, clear, colorless

pka

14.36±0.10(Predicted)

form 

Liquid

color 

APHA: ≤20

Odor

Mild, pleasant.

Relative polarity

0.608

explosive limit

1.3-13%(V)

Odor Type

floral

biological source

synthetic

Water Solubility 

4.29 g/100 mL (20 ºC)

Merck 

14,1124

JECFA Number

25

BRN 

878307

Henry's Law Constant

<2.70 x 10-7 at 25 °C (thermodynamic method-GC/UV, Altschuh et al., 1999)

Exposure limits

No exposure limit is set. Because of its low vapor pressure and low toxicity, the health hazard to humans from occupational exposure should be very low.

Dielectric constant

13.1(20℃)

InChIKey

WVDDGKGOMKODPV-UHFFFAOYSA-N

LogP

1.05 at 20℃

Surface tension

39.2mN/m at 293.15K

CAS DataBase Reference

100-51-6(CAS DataBase Reference)

NIST Chemistry Reference

Benzyl alcohol(100-51-6)

EPA Substance Registry System

Benzyl alcohol (100-51-6)

 Safety Information

Hazard Codes 

Xn,T

Risk Statements 

20/22-63-43-36/37/38-23/24/25-45-40

Safety Statements 

26-36/37-24/25-23-53

RIDADR 

UN 1593 6.1/PG 3

WGK Germany 

1

RTECS 

DN3150000

8-10-23-35

Autoignition Temperature

817 °F

TSCA 

Yes

HS Code 

29062100

Hazardous Substances Data

100-51-6(Hazardous Substances Data)

Toxicity

LD50 orally in rats: 3.1 g/kg (Smyth)

 Chloranil

This substance demonstrates anesthetic characteristics while simultaneously producing pronounced irritant effects on ocular, dermal, and respiratory tissues. It presents toxicity risks through oral ingestion, inhalation, and dermal absorption. Internal exposure may induce cephalalgia, emesis, nausea, digestive tract complications, convulsions, unconsciousness, and potentially fatal outcomes. The documented median lethal dose (LD₅₀) in rat models is 1230 mg/kg. Following systemic absorption, benzyl alcohol undergoes primary oxidation to benzoic acid, subsequently conjugating with glycine in hepatic pathways to form hippuric acid for renal excretion. When employed as a solvent vehicle in intramuscular injections, it may precipitate gluteal muscular contracture.

 

Chloranil

 

 


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