lilac pentanol 10415-87-9

lilac pentanol

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IUPAC name :

3-methyl-1-phenylpentan-3-ol

InChI :

InChI=1/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3

InChIKey :

AEJRTNBCFUOSEM-UHFFFAOYAJ

SMILES :

CCC(C)(CCC1=CC=CC=C1)O

(EINECS) number :	233-889-0
cas number :	10415-87-9
beilstein number :	2354074
fema number :	2883
coe number :	86
jecfa number :	1649
fl. number :	02.037
molar refractivity :	55.83 ± 0.3 cm3
parachor :	454.8 ± 4.0 cm3
index of refraction :	1.512 ± 0.02
surface tension :	35.8 ± 3.0 dyne/cm
density :	0.959 ± 0.06 g/cm3
polarizability :	22.13 ± 0.5 10-24cm3
xlogp :	3.00
molecular weight :	178.2707200
formula :	C12 H18 O
BioActivity Analysis :	108562

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-SAFC :

1-Phenyl-3-methyl-3-pentanol
≥98%

organoleptics :

odor type :

floral

odor strength :

medium

odor description :
at 100.00 %.

sweet fresh lilac earthy narcissus

substantivity :

304 Hour(s)

properties :

appearence :

colorless clear oily liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.95600 to 0.96400 @ 25.00 °C.

pounds per gallon - calc. :

7.955 to 8.021

specific gravity :

0.95700 to 0.96500 @ 20.00 °C.

pounds per gallon - calc. :

7.972 to 8.039

refractive index :

1.50800 to 1.51300 @ 20.00 °C.

boiling point :

112.00 to 112.50 °C. @ 0.80 mm Hg

boiling point :

254.00 °C. @ 760.00 mm Hg

logp :

3.11

safety :

Oral Toxicity(LD50) :

Oral-Rat 2950.00 mg/kg

Dermal Toxicity(LD50) :

Skin-Rabbit >5.00 gm/kg

flash point ( Deg. F. ) :

> 212.00 °F. TCC ( > 100.00 °C. )

recommendation for lilac pentanol usage levels up to :

10.0000 % in the fragrance concentrate.

recommendation for lilac pentanol usage levels up to :

1.0000 ppm in the flavor.

safety references :

EPI System :

view

3-methyl-1-phenylpentan-3-ol

(EINECS) number :

233-889-0

RTECS :

SA7624000 for 10415-87-9

chemidplus :

010415879

EPA Substance Registry Services :

10415-87-9

NLM Chemical Carcinogenesis Research Information System :

10415-87-9

NLM Developmental and Reproductive Toxicity :

10415-87-9

NLM Env. Mutagen Info. Center :

10415-87-9

NLM GENetic TOXicology :

10415-87-9

dtp/nci :

60568

references :

3-methyl-1-phenylpentan-3-ol

jecfa number :

1649

fl. number :

02.037

pubchem :

197781

NIST Chemistry WebBook :

809255474

other :

synonyms :
	lilac pentanol
3-	methyl-1-phenyl pentan-3-ol
3-	methyl-1-phenyl-3-pentanol
	p.e.m.e.c.
	phenethyl methyl ethyl carbinol
	phenyl ethyl methyl ethyl carbinol
1-	phenyl-3-methyl-3-pentanol
soluble in :
	alcohol
	water, very slightly
insoluble in :
	water
(odor and/or flavor) blends with :
para-	anisaldehyde dimethyl acetal
para-	anisyl alcohol
	benzaldehyde propylene glycol acetal
para-	cresyl isobutyrate
para-	cresyl phenyl acetate
para-	cresyl phenyl ether
para-	cresyl propionaldehyde
	earthy acetal
	hawthorn ethanol
(Z)-3-	hexen-1-yl anthranilate
	leafy acetal
(±)-	lilac aldehyde
	lily absolute
(Z)-	linalool oxide (furanoid)
	magnolia indene
2-	methyl anisole
	methyl cyclocitrone
2-	methyl-4-phenyl butanal
	narcissus acetate
	phenyl acetaldehyde 2,3-butylene glycol acetal
2-	phenyl propionaldehyde
2-	phenyl propyl acetate
2-	phenyl propyl alcohol
	propiophenone
	reseda acetal
	styralyl butyrate
	tea acetate
(-)-alpha-	terpineol
(+)-alpha-	terpineol
alpha-	terpineol
gamma-	terpineol
	tetrahydrolinalool
	tetrahydromyrcenol
3,5,5-	trimethyl hexanol
	wallflower absolute
(odor and/or flavor) used in :
	balsam
	earth humus
	fruit
	lilac lilas syringa
	narcissus narcisse
	oriental
	rose
	sandalwood
	woody
natural occurrence in :
	not found in nature

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