ChemicalBook CAS DataBase List 93-54-9

93-54-9

Name	1-Phenyl-1-propanol
CAS	93-54-9
EINECS(EC#)	202-256-0
Molecular Formula	C9H12O
MDL Number	MFCD00004564
Molecular Weight	136.19
MOL File	93-54-9.mol

Synonyms

(+/-)-1-PHENYL-1-PROPANOL 1-PHENYL-1-PROPANOL (+/-)-1-PHENYLPROPANOL 1-PHENYLPROPYL ALCOHOL A-ETHYLBENZYL ALCOHOL (+/-)-ALPHA-ETHYLBENZYL ALCOHOL ALPHA-ETHYLBENZYL ALCOHOL ALPHA-PHENYLPROPYL ALCOHOL AURORA KA-6948 ETHYLPHENYLCARBINOL FEMA 2884 PHENYL ETHYL CARBINOL .alpha.-Ethylbenzenemethanol .alpha.-Hydroxypropylbenzene 1-Phenyl-1-Hydroxypropane 1-Phenyl-n-propanol 1-phenyl-propan-1-ol 1-Phenylpropan-1-ol 1-Propanol, 1-phenyl- alpha.-Ethylbenzenemethanol

Chemical Properties

Appearance	clear colorless liquid
Boiling point	217-219 °C(lit.)
density	0.994 g/mL at 25 °C(lit.)
FEMA	2884
refractive index	n20/D 1.521
Fp	195 °F
storage temp.	Sealed in dry,Room Temperature
solubility	0.62g/l
form	Liquid
pka	14.43±0.20(Predicted)
color	Clear colorless
Odor	at 100.00 %. sweet floral balsam
biological source	synthetic
Odor Type	floral
Water Solubility	insoluble
JECFA Number	822
Merck	14,3768
BRN	1906759
Henry's Law Constant	2.8×10¹ mol/(m³Pa) at 25℃, Wang et al. (2017)
InChI	1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChIKey	DYUQAZSOFZSPHD-UHFFFAOYSA-N
SMILES	CCC(O)c1ccccc1
LogP	1.91
CAS DataBase Reference	93-54-9(CAS DataBase Reference)
NIST Chemistry Reference	Benzenemethanol, «alpha»-ethyl-(93-54-9)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302
Precautionary statements	P264-P270-P301+P312+P330-P501
Hazard Codes	Xn
Risk Statements	R22:Harmful if swallowed. less more
Safety Statements	S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S24/25:Avoid contact with skin and eyes . less more
RIDADR	2810
WGK Germany	3
RTECS	DO5470000
REACH Registrations	Active
HS Code	29062900
Storage Class	10 - Combustible liquids
Hazard Classifications	Acute Tox. 4 Oral
Toxicity	LD50 orally in rats: 1.6 ml/kg (Linét) less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

1-Phenyl-1-propanal has a balsamic, floral fragrance and a sweet, honey-like taste.

Chemical Properties

clear colorless liquid

Occurrence

Reported found in Bantu beer.

Uses

As heat transfer medium; in perfumery.

Definition

ChEBI:Phenylpropanol is an organic molecular entity.

Preparation

By hydrogenation of phenethyl ketone.

Production Methods

1-Phenyl-1-propanol is very rarely used in perfumes, but could find some application as a modifier for Phenylpropylalcohol in Hyacinth, Rose, Lilac, Magnolia, etc.
It finds some use in flavor compositions, almost exclusively in imitation Honey and in various fruit complexes. The concentration used is normally as low as 0.5 to 2 ppm in the finished product.

Synthesis Reference(s)

Tetrahedron, 50, p. 3427, 1994 DOI: 10.1016/S0040-4020(01)87022-8

General Description

1-Phenyl-1-propanol enantiomers (E-PP) forms the inclusion complexes of cyclic decapeptide (CDP) which were studied using the density functional theory (DFT) B3LYP method. It was also used to determine the mass transfer kinetics effect on the elution profiles of the 1-phenyl-1-propanol (PP) enantiomers on Chiracel OB (cellulose tribenzoate coated on silica gel).

Material Safety Data Sheet(MSDS)

Spectrum Detail

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