(R)-(-)-lilyall

fragrance agents

2D:
3D:
CAS Number:	75166-31-3
FDA UNII:	14X71K3AMT
Category:	fragrance agents
IUPAC Name:	(R)-(-)-lilyall
InChI :	InChI=1/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3/t11-/m1/s1
Std.InChI:	InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3/t11-/m1/s1
InChIKey :	SDQFDHOLCGWZPU-LLVKDONJBB
Std.InChIKey:	SDQFDHOLCGWZPU-LLVKDONJSA-N
SMILES :	C[C@H](Cc1ccc(cc1)C(C)(C)C)C=O
Molar Refractivity :	63.60 ± 0.3 cm3 (est)
Parachor :	517.7 ± 4.0 cm3 (est)
Index of Refraction :	1.490 ± 0.02 (est)
Surface Tension :	30.8 ± 3.0 dyne/cm (est)
Density :	0.930 ± 0.06 g/cm3 (est)
Polarizability :	25.21 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	277.70 °C. @ 760.00 mm Hg (est)
Flash Point:	250.00 °F. TCC ( 120.90 °C. ) (est)
logP (o/w):	4.070 (est)
Soluble in:
	alcohol
	water, 7.859 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

lily-of-the-valley

Cosmetic Information:

None found

Suppliers:

None found

Safety Information:


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Recommendation for (R)-(-)-lilyall flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :1549660

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

(2R)-3-(4-tert-butylphenyl)-2-methylpropanal

Chemidplus:0075166313

References:

Leffingwell:	Chirality or Article
	(2R)-3-(4-tert-butylphenyl)-2-methylpropanal
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	1549660
Pubchem (sid):	163640803

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components :

For Odor

aldehydic

adoxal (Givaudan)
FL/FR

citronellyl oxyacetaldehyde
FL/FR

lily pentanal
FR

animal

para-

cresyl isobutyrate
FL/FR

balsamic

linalyl cinnamate
FL/FR

citrus

benzyl anthranilate
FR

citrus ocimenol
FR

methyl indole-1-carboxylate
FR

tetrahydromyrcenol
FR

floral

alpha-

amyl cinnamaldehyde dimethyl acetal
FL/FR

alpha-

butyl cinnamaldehyde
FL/FR

4-iso

butyl cyclohexane propanal
FR

citronellyl (R)-lactate
FR

citronellyl ethoxalate
FR

corps popinal
FR

cumin carbinol
FR

cyclamen aldehyde / methyl anthranilate schiff's base
FR

cyclamen homoaldehyde
FR

cyclohexyl ethyl alcohol
FL/FR

2,5-

dimethyl-2-indan methanol
FR

ethyl cyclohexane propanal
FR

(E,E)-

farnesol
FL/FR

floral butanal
FR

floral specialty
FR

freesia acetate
FR

ginger lily fragrance
FR

(Z)-4-

hepten-2-yl salicylate
FR

(Z)-3-

hexen-1-yl salicylate
FL/FR

hydrangea fragrance
FR

hydroxycitronellal
FL/FR

hydroxycitronellal / methyl anthranilate schiff's base
FR

hydroxycitronellal diethyl acetal
FL/FR

hydroxycitronellal dimethyl acetal
FL/FR

hydroxycitronellal distillation residue distillates
FR

hydroxycitronellal nitrile
FR

hydroxycitronellal propylene glycol acetal
FL/FR

hydroxycitronellal residue
FR

hydroxycitronellol
FL/FR

leerall / methyl anthranilate schiff's base
FR

lily flower absolute
FR

water

lily fragrance
FR

calla

lily fragrance
FR

lily of the valley absolute
FR

lily of the valley fragrance
FR

lily of the valley specialty
FR

lily propanol
FR

lilyall
FR

(S)-(+)-

lilyall
FR

lilyall / methyl anthranilate schiff's base
FR

linalyl benzoate
FL/FR

linalyl phenyl acetate
FL/FR

magnolia cyclohexanol
FR

magnolia decadienal
FR

methoxycitronellal
FR

methyl cyclohexane propanal
FR

methyl octanal
FL/FR

methyl-3-(2-methyl propyl) cyclohexanol
FR

4-(4-

methyl-4-hydroxyamyl)-delta3-cyclohexenecarboxaldehyde
FR

methyl-6-ethyl-5-octen-1-ol
FR

muguet butanal
FR

muguet butanol
FR

muguet carbaldehyde
FR

muguet carbinol
FL/FR

octahydro-4,7-methano-1H-indene-5-acetaldehyde
FR

propyl cyclohexane propanal
FR

alpha-

terpinyl anthranilate
FL/FR

tetrahydrolinalool
FL/FR

ylang ylang flower oil
FL/FR

ylang ylang flower oil CO2 extract
FL/FR

ylang ylang flower oil fractions
FR

ylang ylang flower oil I
FL/FR

ylang ylang flower oil II
FL/FR

ylang ylang oil III fractions
FR

ylang ylang oil replacer
FR

green

phenyl acetaldehyde diethyl acetal
FL/FR

violet decenol
FR

herbal

dimethyl benzyl carbinyl formate
FL/FR

marine

ozone propanal
FR

woody

amber dioxane
FR

hydroxycitronellal diisotridecyl acetal
FR

For Flavor

No flavor group found for these

alpha-

amyl cinnamaldehyde dimethyl acetal
FL/FR

dimethyl benzyl carbinyl formate
FL/FR

(E,E)-

farnesol
FL/FR

hydroxycitronellal propylene glycol acetal
FL/FR

linalyl phenyl acetate
FL/FR

methyl octanal
FL/FR

phenyl acetaldehyde diethyl acetal
FL/FR

alpha-

terpinyl anthranilate
FL/FR

alpha-

butyl cinnamaldehyde
FL/FR

aromatic

para-

cresyl isobutyrate
FL/FR

citrus

citronellyl oxyacetaldehyde
FL/FR

floral

muguet carbinol
FL/FR

tetrahydrolinalool
FL/FR

ylang ylang flower oil
FL/FR

ylang ylang flower oil CO2 extract
FL/FR

ylang ylang flower oil I
FL/FR

ylang ylang flower oil II
FL/FR

fruity

linalyl benzoate
FL/FR

linalyl cinnamate
FL/FR

green

cyclohexyl ethyl alcohol
FL/FR

(Z)-3-

hexen-1-yl salicylate
FL/FR

melon

hydroxycitronellal diethyl acetal
FL/FR

powdery

hydroxycitronellol
FL/FR

waxy

adoxal (Givaudan)
FL/FR

hydroxycitronellal
FL/FR

hydroxycitronellal dimethyl acetal
FL/FR

Potential Uses:

None Found

Occurrence (nature, food, other):

not found in nature

Synonyms:

	benzenepropanal, 4-(1,1-dimethylethyl)-a-methyl-, (aR)-
	butylphenyl methylpropional, (-)-
(2R)-3-(4-tert-	butylphenyl)-2-methylpropanal
(R)-(-)-	lilial
(2R)-2-	methyl-3-[4-(2-methyl-2-propanyl)phenyl]propanal

Articles:

None found yet. Try the PubMed Search.

CONTENTS

EU/US Properties Organoleptic EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles