alpha,alpha-dimethyl benzyl alcohol
2-phenylpropan-2-ol
 
Notes:
None found
  • BOC Sciences
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      Product(s):
      617-94-7 2-Phenyl-2-propanol
       
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      Product(s):
      P0213 2-Phenyl-2-propanol >98.0%(GC)
       
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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
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Perfumer and Flavorist: Search
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NCBI: Search
DG SANTE Food Flavourings: 02.203  2-phenylpropan-2-ol
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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 mmHg @ 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)
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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).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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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%
TCI AMERICA
For experimental / research use only.
2-Phenyl-2-propanol >98.0%(GC)
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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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Chewing gum (05.0): --
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
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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
Cancer Citations: Search
Toxicology Citations: 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
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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
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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
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2906.29.6000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
anise
 fennel fragranceFR
balsamic
 bornyl formateFL/FR
caramellic
2-isobutyl-3-methyl pyrazineFL/FR
coconut
delta-heptalactoneFL/FR
earthy
5-cyclopropyl-3(or 2),4-dimethyl octahydro-4,7-methanoinden-5-ol 
(Z)-linalool oxide (furanoid)FL/FR
1-nonen-3-olFL/FR
2-octanone oximeFR
1-octen-3-olFL/FR
fatty
(R)-dihydro-gamma-ionone 
(Z)-3-octen-1-olFL/FR
floral
 bois de rose oil terpenelessFL/FR
 geranium dihydropyranFR
 geranium oil moroccoFL/FR
 linalool oxideFL/FR
2-methyl-4-phenyl butanalFL/FR
 octyl acetateFL/FR
2-phenyl propyl acetateFL/FR
(R)-styralyl alcoholFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
 amyl formateFL/FR
2-pentyl furanFL/FR
green
(R)-2-sec-butyl-3-methoxypyrazine 
(S)-2-sec-butyl-3-methoxypyrazine 
 cumin acetaldehydeFL/FR
 earthy acetalFL/FR
 fern absolute 
 ferula galbaniflua gum extractFL/FR
 galbanum resinoid replacerFR
 geranium absoluteFL/FR
(Z)-3-hepten-1-olFL/FR
(Z)-3-hexen-1-yl acetoacetateFL/FR
(S)-1-hexen-3-ol 
(R)-1-hexen-3-ol 
 methyl cyclocitrone (IFF)FR
 octanal dimethyl acetalFL/FR
 rose furan epoxideFL/FR
3,5,5-trimethyl hexanolFL/FR
2,4,8-trimethyl-5-oxatricyclo(6.2.1.0*2,6*)undecaneFR
1,5-undecadien-4-ol 
herbal
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 rain forest specialtyFR
naphthyl
ortho-methyl anisoleFL/FR
nutty
5-ethyl-4-methyl thiazole 
woody
 callitris intratropica wood oil australiaFR
3(or 2),4-dimethyl-5-vinyl octahydro-4,7-methanoinden-5-ol 
 dryopteris filix-mas oleoresinFR
5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole 
 
For Flavor
 
No flavor group found for these
 benzyl disulfideFL
 bornyl formateFL/FR
(R)-2-sec-butyl-3-methoxypyrazine 
(S)-2-sec-butyl-3-methoxypyrazine 
5-cyclopropyl-3(or 2),4-dimethyl octahydro-4,7-methanoinden-5-ol 
(R)-dihydro-gamma-ionone 
3(or 2),4-dimethyl-5-vinyl octahydro-4,7-methanoinden-5-ol 
 earthy acetalFL/FR
5-ethyl-4-methyl thiazole 
 fern absolute 
(Z)-3-hepten-1-olFL/FR
5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole 
(Z)-3-hexen-1-yl acetoacetateFL/FR
(S)-1-hexen-3-ol 
(R)-1-hexen-3-ol 
(Z)-linalool oxide (furanoid)FL/FR
2-methyl-4-phenyl butanalFL/FR
2-phenyl propyl acetateFL/FR
 rose furan epoxideFL/FR
(R)-styralyl alcoholFL/FR
1,5-undecadien-4-ol 
camphoreous
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
ortho-methyl anisoleFL/FR
earthy
1-nonen-3-olFL/FR
fatty
(Z)-3-octen-1-olFL/FR
floral
 bois de rose oil terpenelessFL/FR
 geranium oil moroccoFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
 amyl formateFL/FR
green
2-isobutyl-3-methyl pyrazineFL/FR
 cumin acetaldehydeFL/FR
 ferula galbaniflua gum extractFL/FR
 geranium absoluteFL/FR
 horseradish oilFL
 linalool oxideFL/FR
 octanal dimethyl acetalFL/FR
2-pentyl furanFL/FR
 propylene glycol acetone ketalFL
3,5,5-trimethyl hexanolFL/FR
herbal
 oregano oleoresinFL
lactonic
delta-heptalactoneFL/FR
mushroom
1-octen-3-olFL/FR
waxy
 octyl acetateFL/FR
 
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Potential Uses:
 cedarwoodFR
 chocolate cocoaFL
 chypreFR
 lily of the valleyFR
 powderFR
 roseFR
 woodyFR
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Occurrence (nature, food, other): note
 cheese parmesan cheese
Search  PMC Picture
 cocoa
Search Trop  Picture
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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-
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