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Basic information

  • Name:

  • Cinnamyl alcohol

  • CAS No.:

  • 104-54-1

  • Formula:
  • C9H10O
  • Synonyms:
  • 3-Phenyl-2-propenol;Phenyl-2-propen-1-ol;gamma.-Phenylallyl alcohol;Styrone;gamma-Phenylallyl alcohol;Styrylcarbinol;2-Propen-y1-ol, 3-phenyl-;2-Propen-1-ol, 3-phenyl-;Zimtalcohol;2-Propen-1-ol,3-phenyl-;3-Phenyl-2-propen-1-ol;Styryl alcohol;3-phenylprop-2-en-1-ol;Styryl carbinol;Propenoic acid, 3-phenyl-, (trans)-;3-Fenyl-2-propen-1-ol [Czech];1-Phenylprop-1-en-3-ol;Alkohol skoricovy [Czech];3-Phenylallyl alcohol;Cinnamic alcohol FCC;Cinnamic Alcohol , Natural;3-Phenyl 2-Propen-1-ol;

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Chemistry


IUPAC Name: (E)-3-Phenylprop-2-en-1-ol
Canonical SMILES: C1=CC=C(C=C1)C=CCO
Isomeric SMILES: C1=CC=C(C=C1)/C=C/CO
InChI: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
InChIKey: OOCCDEMITAIZTP-QPJJXVBHSA-N
Molecular Weight: 134.1751 [g/mol]
Molecular Formula: C9H10O
XLogP3: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 1 
EINECS: 203-212-3
Product Categories: Pharmaceutical Intermediates; Benzhydrols, Benzyl & Special Alcohols 
Water Solubility: 1.8 g/L (20 ºC) 
Stability: Stable. Incompatible with strong oxidizing agents. 
Index of Refraction: 1.598
Molar Refractivity: 43.67 cm3
Molar Volume: 127.9 cm3
Surface Tension: 42.6 dyne/cm
Density: 1.048 g/cm3
Flash Point: 124.8 °C
Enthalpy of Vaporization: 51.48 kJ/mol
Boiling Point: 250 °C at 760 mmHg
Vapour Pressure: 0.0117 mmHg at 25°C
Appearance: colourless solid
Melting Point: 30-33 °C(lit.)
Classification Code of Cinnamyl alcohol (CAS NO.104-54-1): Mutation data; Skin / Eye Irritant

Uses

 Cinnamyl alcohol (CAS NO.104-54-1) is used in perfumery and as a deodorant.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2675mg/kg (2675mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
mouse LD50 oral 2675mg/kg (2675mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 855, 1974.
rat LD50 oral 2gm/kg (2000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 855, 1974.

Safety Profile

cinnamyl alcohol should be avoided by people with perfume allergy.
Hazard Codes :   Xn
Risk Statements:
22:  Harmful if swallowed 
36/38:  Irritating to eyes and skin 
43:  May cause sensitization by skin contact 
36:  Irritating to the eyes 
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36/37:  Wear suitable protective clothing and gloves 
37/39:  Wear suitable gloves and eye/face protection 
24:  Avoid contact with skin
F:10-23: Keep under argon. Sensitive to air.
RIDADR : 2811
WGK Germany: 2
RTECS: GE2200000

Specification

  Cinnamyl alcohol (CAS NO.104-54-1), its Synonyms are 1-Phenylprop-1-en-3-ol ; 2-Propen-1-ol, 3-phenyl- ; 3-Fenyl-2-propen-1-ol ; 3-Phenyl-2-propen-1-ol ; 3-Phenyl-2-propenol ; 3-Phenylallyl alcohol ; Alkohol skoricovy ; Phenyl-2-propen-1-ol ; Propenoic acid, 3-phenyl-, (trans)- ; Styrone ; Styryl alcohol ; Styryl carbinol ; Zimtalcohol ; gamma-Phenylallyl alcohol .

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