2-phenyl propyl alcohol

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IUPAC name :

2-phenylpropan-1-ol

InChI :

InChI=1/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

InChIKey :

RNDNSYIPLPAXAZ-UHFFFAOYAU

SMILES :

CC(CO)C1=CC=CC=C1

cas number :	1123-85-9
(EINECS) number :	214-379-7
beilstein number :	1906760
fema number :	2732
coe number :	2257
jecfa number :	1459
fl. number :	02.073
molar refractivity :	41.97 ± 0.3 cm3
parachor :	339.0 ± 4.0 cm3
index of refraction :	1.524 ± 0.02
surface tension :	37.4 ± 3.0 dyne/cm
density :	0.994 ± 0.06 g/cm3
polarizability :	16.63 ± 0.5 10-24cm3
XlogP :	1.70
molecular weight :	136.1909800
formula :	C9 H12 O
BioActivity Analysis :	71371
NMR Predictor :	Predict

IUPAC name :

(2R)-2-phenylpropan-1-ol

InChI :

InChI=1/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1

InChIKey :

RNDNSYIPLPAXAZ-QMMMGPOBBL

SMILES :

C[C@@H](CO)C1=CC=CC=C1

cas number :	19141-40-3
beilstein number :	1906760
molar refractivity :	41.97 ± 0.3 cm3
parachor :	339.0 ± 4.0 cm3
index of refraction :	1.524 ± 0.02
surface tension :	37.4 ± 3.0 dyne/cm
density :	0.994 ± 0.06 g/cm3
polarizability :	16.63 ± 0.5 10-24cm3
XlogP :	1.70
molecular weight :	136.1909800
formula :	C9 H12 O
NMR Predictor :	Predict

IUPAC name :

(2S)-2-phenylpropan-1-ol

InChI :

InChI=1/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1

InChIKey :

RNDNSYIPLPAXAZ-MRVPVSSYBN

SMILES :

C[C@H](CO)C1=CC=CC=C1

cas number :	37778-99-7
beilstein number :	1906760
molar refractivity :	41.97 ± 0.3 cm3
parachor :	339.0 ± 4.0 cm3
index of refraction :	1.524 ± 0.02
surface tension :	37.4 ± 3.0 dyne/cm
density :	0.994 ± 0.06 g/cm3
polarizability :	16.63 ± 0.5 10-24cm3
XlogP :	1.70
molecular weight :	136.1909800
formula :	C9 H12 O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

172.515

Suppliers :

John D. Walsh :

Hydratropic Alcohol Coeur

(R)-2-Phenyl-1-propanol
Odor: hyacinth

organoleptics :

odor type :

balsamic

odor strength :

medium

odor description :¹
at 100.00 %.

green spicy hyacinth balsam lilac honeysuckle

odor sample from :

International Flavors & Fragrances Inc.

properties :

appearence :

colorless viscous liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.99700 to 1.00500 @ 25.00 °C.

pounds per gallon - calc. :

8.296 to 8.363

specific gravity :

0.99800 to 1.00600 @ 20.00 °C.

pounds per gallon - calc. :

8.314 to 8.381

refractive index :

1.52400 to 1.52900 @ 20.00 °C.

boiling point :

113.00 to 114.00 °C. @ 14.00 mm Hg

boiling point :

110.00 to 111.00 °C. @ 10.00 mm Hg

flash point :

> 212.00 °F. TCC ( > 100.00 °C. )

logP (o/w) :

1.71

safety :

most important hazard(s) :

None - None found.

S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.

Human experience :

6 % solution: no irritation or sensitization.

Oral Toxicity(LD50) :

Oral-Rat 2300.00 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 545, 1975.

Dermal Toxicity(LD50) :

Skin-Rabbit >5000.00 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 545, 1975.

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

0.09 (μg/capita/day)

Maximised Survey-derived Daily Intakes (MSDI-USA) :

0.01 (μg/capita/day)

recommendation for 2-phenyl propyl alcohol usage levels up to :

8.0000 % in the fragrance concentrate.

recommendation for 2-phenyl propyl alcohol usage levels up to :

2.0000 ppm in the flavor.

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

EPI System :

view

Cancer Citations :

Toxicology Citations :

Env. Mutagen Info. Center :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

2-phenylpropan-1-ol

(EINECS) number :

214-379-7

RTECS :

SG8590000 for 1123-85-9

chemidplus :

001123859

EPA Substance Registry Services :

1123-85-9

dtp/nci :

5232

(2R)-2-phenylpropan-1-ol

chemidplus :

019141403

EPA Substance Registry Services :

19141-40-3

(2S)-2-phenylpropan-1-ol

chemidplus :

37778-99-7

EPA Substance Registry Services :

37778-99-7

references :

2-phenylpropan-1-ol

fl. number :

02.073

jecfa number :

1459

NIST Chemistry WebBook :

1106870207

pubchem :

157582

(2R)-2-phenylpropan-1-ol

pubchem :

754258

(2S)-2-phenylpropan-1-ol

pubchem :

588474

Cosmetics :

Cosmetic uses :

perfuming agents

other :

reference :

Luebke, William tgsc, (1990)¹

CosIng :

cosmetic data

synonyms :
	hydratropic alcohol
	hydratropyl alcohol
1-	hydroxy-2-phenyl propane
beta-	methyl benzene ethanol
beta-	methyl phenethyl alcohol
para-	methyl phenethyl alcohol
alpha-	methyl phenyl ethyl alcohol
beta-	methyl phenyl ethyl alcohol
2-	methyl-2-phenyl ethanol
2-	phenyl propan-1-ol
beta-	phenyl propyl alcohol
2-	phenyl-1-propanol
2-	phenylpropan-1-ol
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	acetaldehyde dimethyl acetal
	acetaldehyde ethyl phenethyl acetal
	acetophenone
	acorn acetate
	amyl benzoate
ortho-	anisaldehyde
para-	anisaldehyde
para-	anisaldehyde / methyl anthranilate schiff's base
para-	anisaldehyde dimethyl acetal
	anisonitrile
para-	anisyl acetaldehyde
para-	anisyl alcohol
	anisyl propanal / methyl anthranilate schiff's base
	benzyl methyl ether
alpha-	butyl cinnamaldehyde
	cinnamyl alcohol
	cinnamyl formate
	citronellyl acetate
	citronellyl propionate
	citrus carbaldehyde / methyl anthranilate schiff's base
para-	cresyl phenyl acetate
	cumin carbinol
homo	cuminic aldehyde
3-	decanone
2-	decen-1-al
	dimethyl benzyl carbinol
	dimethyl benzyl carbinyl butyrate
	dimethyl salicylate
6,8-	dimethyl-2-nonanol
	earthy indane
para-	ethyl acetophenone
	ethyl hydrocinnamate
	ethyl methyl-para-tolyl glycidate
	floral butanal
	galbanum ketone
	galbanum resinoid
	gardenia concrete
	geranium concrete
	geranium oil
	geranyl acetone
	geranyl isobutyrate
	grapefruit pentanol
	green ether
	hawthorn acetate
	hawthorn carbinol
	heliotropyl acetate
	heptyl cinnamate
	heptyl phenyl acetate
	hexanal diethyl acetal
(Z)-3-	hexen-1-ol
(Z)-3-	hexen-1-yl salicylate
alpha-	hexyl cinnamaldehyde
alpha-	hexyl cinnamaldehyde dimethyl acetal
	hexyl heptanoate
	hexyl phenyl acetate
	hyacinth absolute
	hyacinth butanal
	hyacinth ether
4'-	hydroxyacetophenone
	ivy dioxolane
	ivy leaf absolute
	jasmin cyclopentanol
	jonquil absolute
	kewda absolute
	kewda oil
	leafy acetal
	methyl acetophenone
para-	methyl hydratropaldehyde
	methyl octine carbonate
5-	methyl-5-hexen-2-one
	mimosa absolute
	mistletoe absolute
	muguet undecadienal
	neroli oil
	nerolidol
2-	nonyn-1-al dimethyl acetal
	oakmoss concrete
	octanal dimethyl acetal
	orange leaf absolute
	papaya isobutyrate
	peony alcohol
	phenethyl cinnamate
	phenethyl formate
	phenethyl isopropyl ether
	phenethyl oxyacetaldehyde
	phenethyl salicylate
	phenoxyacetaldehyde 50% in benzyl alcohol
	phenyl acetaldehyde / methyl anthranilate schiff's base
	phenyl acetaldehyde dimethyl acetal
	phenyl acetaldehyde ethylene glycol acetal
	phenyl glycol diacetate
2-	phenyl propionaldehyde
3-	phenyl propionaldehyde
2-	phenyl propionaldehyde dimethyl acetal
2-	phenyl propionaldehyde ethylene glycol acetal
2-	phenyl propyl acetate
3-	phenyl propyl alcohol
3-	phenyl propyl formate
	phenyl propyl phenyl acetate
3-	phenyl propyl propionate
(E)-2-	phenyl-1(2)-propene-1-yl acetate
4-	phenyl-2-butanol
	propiophenone
	propyl 4-hydroxybenzoate
iso	propyl anthranilate
	reseda acetal
	rose butanoate
	rose petal acetate
	styralyl alcohol
	sweet pea absolute
	tea acetate
	tricyclodecenyl acetate
(odor and/or flavor) used in :
	honeysuckle chevrefeuille
	hyacinth jacinthe
	lilac lilas syringa
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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