EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

alpha,alpha-dimethyl benzyl alcohol
2-phenylpropan-2-ol

Supplier Sponsors

Name:2-phenylpropan-2-ol
CAS Number: 617-94-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-539-5
FDA UNII:JE030BGE05
Nikkaji Web:J28.650H
Beilstein Number:1905012
MDL:MFCD00004456
CoE Number:11704
XlogP3:1.80 (est)
Molecular Weight:136.19384000
Formula:C9 H12 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:02.203 (Old)
DG SANTE Food Flavourings:02.203 2-phenylpropan-2-ol
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97100 to 0.97700 @ 25.00 °C.
Pounds per Gallon - (est).: 8.080 to 8.130
Refractive Index:1.52900 to 1.53500 @ 20.00 °C.
Melting Point: 28.00 to 32.00 °C. @ 760.00 mm Hg
Boiling Point: 216.00 to 218.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.183000 mm/Hg @ 25.00 °C. (est)
Flash Point: 190.00 °F. TCC ( 87.78 °C. )
logP (o/w): 1.820 (est)
Soluble in:
 alcohol
 water, 6113 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
green sweet earthy
Odor Description:at 100.00 %. mild green sweet earthy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Phenyl-2-propanol
Carbosynth
For experimental / research use only.
2-Phenylisopropyl alcohol
Santa Cruz Biotechnology
For experimental / research use only.
2-Phenyl-2-propanol ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Phenyl-2-propanol 97%
Synerzine
2-Phenyl-2-propanol
TCI AMERICA
For experimental / research use only.
2-Phenyl-2-propanol >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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:
oral-rat LD50 1037 mg/kg
(Patty, 1982a)

oral-mouse LD50 1400 mg/kg
Eisei Kagaku. Hygienic Chemistry. Vol. 24, Pg. 115, 1978.

oral-rat LD50 1300 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 675, 1982.

Dermal Toxicity:
skin-rabbit LD50 4300 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 675, 1982.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for alpha,alpha-dimethyl benzyl alcohol usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6
View page or View pdf

Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 18, Revision 2 (FGE.18Rev2): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 18, Revision 3 (FGE.18Rev3): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8.
View page or View pdf

EPI System: View
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):617-94-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12053
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-phenylpropan-2-ol
Chemidplus:0000617947
RTECS:DO4562000 for cas# 617-94-7
 
References:
 2-phenylpropan-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:617-94-7
Pubchem (cid):12053
Pubchem (sid):134978281
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2906.29.6000
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
anise
fennel fragrance
FR
balsamic
bornyl formate
FL/FR
caramellic
2-iso
butyl-3-methyl pyrazine
FL/FR
coconut
delta-
heptalactone
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
1-
nonen-3-ol
FL/FR
2-
octanone oxime
FR
1-
octen-3-ol
FL/FR
floral
bois de rose oil terpeneless
FL/FR
geranium dihydropyran
FR
geranium oil morocco
FL/FR
linalool oxide
FL/FR
2-
methyl-4-phenyl butanal
FL/FR
octyl acetate
FL/FR
2-
phenyl propyl acetate
FL/FR
(R)-
styralyl alcohol
FL/FR
ylang ylang flower oil III
FL/FR
fruity
amyl formate
FL/FR
(Z)-3-
octen-1-ol
FL/FR
2-
pentyl furan
FL/FR
green
cumin acetaldehyde
FL/FR
earthy acetal
FL/FR
ferula galbaniflua gum extract
FL/FR
galbanum resinoid replacer
FR
geranium absolute
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetoacetate
FL/FR
methyl cyclocitrone (IFF)
FR
octanal dimethyl acetal
FL/FR
rose furan epoxide
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
2,4,8-
trimethyl-5-oxatricyclo(6.2.1.0*2,6*)undecane
FR
herbal
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
rain forest specialty
FR
naphthyl
ortho-
methyl anisole
FL/FR
woody
callitris intratropica wood oil australia
FR
dryopteris filix-mas oleoresin
FR
For Flavor
No flavor group found for these
benzyl disulfide
FL
bornyl formate
FL/FR
earthy acetal
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetoacetate
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
2-
methyl-4-phenyl butanal
FL/FR
2-
phenyl propyl acetate
FL/FR
rose furan epoxide
FL/FR
(R)-
styralyl alcohol
FL/FR
camphoreous
camphoreous
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
ortho-
methyl anisole
FL/FR
earthy
1-
nonen-3-ol
FL/FR
fatty
(Z)-3-
octen-1-ol
FL/FR
floral
bois de rose oil terpeneless
FL/FR
geranium oil morocco
FL/FR
ylang ylang flower oil III
FL/FR
fruity
amyl formate
FL/FR
green
2-iso
butyl-3-methyl pyrazine
FL/FR
cumin acetaldehyde
FL/FR
ferula galbaniflua gum extract
FL/FR
geranium absolute
FL/FR
horseradish oil
FL
linalool oxide
FL/FR
octanal dimethyl acetal
FL/FR
2-
pentyl furan
FL/FR
propylene glycol acetone ketal
FL
3,5,5-
trimethyl hexanol
FL/FR
herbal
oregano oleoresin
FL
lactonic
delta-
heptalactone
FL/FR
mushroom
1-
octen-3-ol
FL/FR
waxy
octyl acetate
FL/FR
 
Potential Uses:
FRcedarwood
 chocolate cocoa
FRchypre
FRlily of the valley
FRpowder
FRrose
FRwoody
 
Occurrence (nature, food, other):note
 cheese parmesan cheese
Search PMC Picture
 cocoa
Search Trop Picture
 
Synonyms:
 benzenemethanol, a,a-dimethyl-
 benzyl alcohol, a,a-dimethyl-
alpha-cumyl alcohol
alpha,alpha-dimethyl benzene methanol
alpha,alpha-dimethyl benzyl alcohol
 dimethyl phenyl carbinol
 dimethyl phenyl methanol
 dimethylphenylcarbinol
 dimethylphenylmethanol
1-hydroxycumene
a-hydroxycumene
2-phenyl isopropanol
2-phenyl propan-2-ol
2-phenyl-2-propanol
 phenyldimethylcarbinol
2-phenylisopropanol
2-phenylpropan-2-ol
 propan-2-ol, 2-phenyl-
2-propanol, 2-phenyl-
 
 
Notes:
None found
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