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dimethyl benzyl carbinol

Chemical Structure

General Material Information

Preferred name dimethyl benzyl carbinol
Trivial Name 2-Methyl-1-phenyl-2-propanol
Short Description alpha,alpha-dimethylphenethyl alcohol
Formula C10 H14 O
CAS Number 100-86-7
FEMA Number 2393
ECHA Number 202-896-0
FDA UNII N95NCI59MI
Nikkaji Number J9.769A
Beilstein Number 1855608
MDL MFCD00004465
COE Number 84
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1653 alpha,alpha-dimethylphenethyl alcohol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 100-86-7 ; ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOL
Synonyms
  • benzeneethanol, a,a-dimethyl-
  • benzyl dimethyl carbinol
  • benzyl propyl alcohol
  • 2-benzyl-2-propanol
  • benzyldimethylcarbinol
  • alpha,alpha- dimethyl benzene ethanol
  • dimethyl benzyl carbinol FCC
  • alpha,alpha- dimethyl phenethanol
  • alpha,alpha- dimethyl phenethyl alcohol
  • 1,1-dimethyl phenyl ethanol
  • alpha,alpha- dimethyl phenyl ethyl alcohol
  • 1,1-dimethyl-2-phenyl ethanol
  • 1,1-dimethyl-2-phenylethanol
  • 1,1-dimethyl-2-phenylethyl alcohol
  • a,a- dimethylbenzeneethanol
  • dimethylbenzylcarbinol
  • a,a- dimethylphenethanol
  • a,a- dimethylphenethyl alcohol
  • alpha,alpha- dimethylphenethyl alcohol
  • DMBC
  • 2-hydroxy-2-methyl-1-phenyl propane
  • 2-hydroxy-2-methyl-1-phenylpropane
  • 2-methyl-1-phenyl propan-2-ol
  • 2-methyl-1-phenyl-2-propanol
  • 2-methyl-1-phenylpropan-2-ol
  • phenethyl alcohol, a,a-dimethyl-
  • 1-phenyl-2-hydroxy-2-methylpropane
  • phenyl-tert-butanol
  • beta- phenyl-tert-butyl alcohol
  • propan-2-ol, 2-methyl-1-phenyl-
  • 2-methyl-1-phenylpropan-2-ol
  • Benzeneethanol, α,α-dimethyl-
  • Phenethyl alcohol, α,α-dimethyl-
  • α,α-Dimethylbenzeneethanol
  • α,α-Dimethylphenethyl alcohol
  • 1,1-Dimethyl-2-phenylethanol
  • 1,1-Dimethylphenylethanol
  • α,α-Dimethylphenethanol
  • 2-Hydroxy-2-methyl-1-phenylpropane
  • 2-Methyl-1-phenyl-2-propanol
  • 1-Phenyl-2-methylpropan-2-ol
  • β-Phenyl-tert-butyl alcohol
  • 2-Benzyl-2-propanol
  • 1-Benzyl-1-methylethanol
  • 2-Methyl-3-phenyl-2-propanol
  • 1,1-Dimethyl-2-phenylethyl alcohol
  • NSC 27228
  • NSC 46103
  • NSC 5236
  • 1-Phenyl-2-hydroxy-2-methylpropane
  • 2-Hydroxy-2-methyl-1-phenyl-1-propane

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

2-methyl-1-phenylpropan-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:100-86-7
Pubchem (cid):7531
Pubchem (sid):134972872
Publications by PubMed
Characterization of aroma compounds of Chinese famous liquors by gas chromatography-mass spectrometry and flash GC electronic-nose.
Aroma characterization of chinese rice wine by gas chromatography-olfactometry, chemical quantitative analysis, and aroma reconstitution.
The Paleobiosphere: a novel device for the in vivo testing of hydrocarbon producing-utilizing microorganisms.
Fragrance material review on 1,1-dimethyl-2-phenylethyl acetate.
Fragrance material review on 1,1-dimethyl-2-phenylethyl butyrate.
Fragrance material review on 1,1-dimethyl-2-phenylethyl formate.
Fragrance material review on 1,1-dimethyl-2-phenylethyl isobutyrate.
Fragrance material review on 1,1-dimethyl-2-phenylethyl propionate.
Biodegradation of kraft lignin by a bacterial strain Comamonas sp. B-9 isolated from eroded bamboo slips.
Production of volatile organic compounds by mycobacteria.
Caffeic acid phenethyl ester (CAPE): correlation of structure and antioxidant properties.
Biodegradation of malachite green by Pseudomonas sp. strain DY1 under aerobic condition: characteristics, degradation products, enzyme analysis and phytotoxicity.
Serratia odorifera: analysis of volatile emission and biological impact of volatile compounds on Arabidopsis thaliana.
The tea weevil, Myllocerinus aurolineatus, is attracted to volatiles induced by conspecifics.
Caffeic acid phenethyl ester decreases cholangiocarcinoma growth by inhibition of NF-kappaB and induction of apoptosis.
Parameters influencing the release of tertiary alcohols from the surface of "spherical" dendrimers and "linear" stylomers by neighbouring-group-assisted hydrolysis of 2-carbamoylbenzoates.
GPR12 selections of the metabolites from an endophytic Streptomyces sp. associated with Cistanches deserticola.
Convenient synthesis of hydroxytyrosol and its lipophilic derivatives from tyrosol or homovanillyl alcohol.
Floral attractants for the female soybean looper, Thysanoplusia orichalcea (Lepidoptera: Noctuidae).
Floral scent of Canada thistle and its potential as a generic insect attractant.
Femtosecond pulse shaping adds a new dimension to mass spectrometry.
Effects of CAPE-like compounds on HIV replication in vitro and modulation of cytokines in vivo.
Antioxidant effect of hydroxytyrosol, a polyphenol from olive oil: scavenging of hydrogen peroxide but not superoxide anion produced by human neutrophils.
Synthesis, structure, and spectroscopic, photochemical, redox, and catalytic properties of ruthenium(II) isomeric complexes containing dimethyl sulfoxide, chloro, and the dinucleating bis(2-pyridyl)pyrazole ligands.
ESR study of MMA polymerization by a peroxide/amine system: bone cement formation.
Inhibitory effects of caffeic acid phenethyl ester (CAPE) on 12-O-tetradecanoylphorbol-13-acetate-induced tumor promotion in mouse skin and the synthesis of DNA, RNA and protein in HeLa cells.
Percutaneous absorption of benzyl acetate through rat skin in vitro. 2. Effect of vehicle and occlusion.
Molybdenum requirement for translocation of dimethyl sulfoxide reductase to the periplasmic space in a photodenitrifier, Rhodobacter sphaeroides f. sp. denitrificans.
Patterns of protein production in Myxococcus xanthus during spore formation induced by glycerol, dimethyl sulfoxide, and phenethyl alcohol.
Physiological disposition and metabolic fate of a new antiarrhythmic agent, alpha, alpha-dimethyl-4-(alpha, alpha, beta, beta-tetrafluorophenethyl) benzylamine in the rat, dog, monkey, baboon, and man.
Mutants of Myxococcus xanthus insensitive to glycerol-induced myxospore formation.
Influence of phenethyl alcohol and other organic solvents on cellulase production.

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
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31570
FooDB:FDB008187
Export Tariff Code:2906.29.6000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 150.22077941895
Specific gravity @ 25 °C
Pounds per Gallon 8.096 to 8.121
Refractive Index 1.512 to 1.518 @ 20 °C
Melting Point 23 to 24°C @ 760 mm Hg
Boiling Point 215 to 216°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.089 mmHg @ 25 °C
Flash Point TCC Value 83.33 °C TCC
logP (o/w) 2.269 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
fixed oils Yes
paraffin oil Yes
propylene glycol Yes
water, slightly Yes
water, 2029 mg/L @ 25 °C (est) Yes
water No
glycerin No
Stability
acid cleaner Unspecified
alcoholic lotion Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
liquid detergent Unspecified
non-discoloring in most media Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Floral
clean, floral, green, rose, cortex, oily, rhubarb
Odor strength low
Substantivity 6 hour(s) at 100.00 %
Luebke, William tgsc, (1982) At 100.00 %. clean floral green rose cortex oily rhubarb
Flavor Type: Medicinal
medicinal, floral, phenolic, narcissus, cinnamyl
Luebke, William tgsc, (1982) Medicinal floral phenolic narcissus cinnamyl

Potential Uses

Applications
Odor purposes Acacia , Aldehydic , Algae , Amaryllis , Animal , Apple , Apple blossom , Crabapple , Ash mountain ash , Ash mountain ash blossom , Autumn , Balsam , Bark , Bayberry , Bouquet , Calamus oil replacer , Carnation , Carrot seed , Cedar forest , Celery , Chamomile , Champaca , Chrysanthemum , Cigar , Cilantro , Clary sage oil replacer , Clematis , Coriander , Cortex , Costus , Crabapple blossom , Cranberry , Cucumber , Currant bud absolute replacer , Cyclamen , Cypress oil replacer , Daffodil , Dahlia , Daisy , Daphne , Date , Davana oil replacer , Dillenia , Earth , Elder berry , Evergreen , Fern , Fig , Fir balsam , Fir needle oil replacer , Flouve , Flower shop , Foliage , Galangal root , Gardenia , Geranium , Green , Herbal , Honeysuckle , Hugonia , Hyacinth , Hydrangea , Iris blossom , Ivy , Jasmin , Jonquil , Juniper berry , Leather , Lilac , Lily , Lily of the valley , Mango , Marjoram , Mimosa , Myrrh , Narcissus , New car , Oakwood , Ocean sea , Orange bitter orange peel , Orris , Osmanthus , Pansy , Parsley leaf , Patchouli , Pear , Floral , Petunia , Pine , Poppy , Privet , Privet blossom , Quince , Rain , Reseda , Rhubarb , Rose , Rose d'orient , Rose geranium , Rose leaf , Rose tea rose , Rose white rose , Saffron , Sage , Seaweed absolute replacer , Sherry , Spruce , Stephanotis , Tangerine , Tobacco , Tonka bean , Tulip , Valerian , Vetiver , Wallflower , Wisteria , Woody , Wormwood oil replacer , Yerba mate , Yew , Ylang ylang
Flavoring purposes Artichoke , Carrot seed , Cilantro , Coriander , Currant bud absolute replacer , Galangal root , Lettuce , Marjoram , Nut , Orange bitter orange peel , Parsley leaf , Pear prickly pear , Rose leaf , Tea , Valerian , Yerba mate
Other purposes Clean , Diffusion , Fruit dried fruit , Hair , Leaf , Liverwort , Parsnip , Seedy , Stem , Straw , Timber , Truffle , Vegetation tropical hothouse vegetation , Vine , Weedy
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 1280 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

oral-guinea pig LD50 988 mg/kg
GASTROINTESTINAL: GASTRITIS BEHAVIORAL: COMA KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 531, 1974.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and 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 dimethyl benzyl carbinol usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 19.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 12.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -4.90000
beverages(nonalcoholic): -3.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -100.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.20000
fruit ices: -3.20000
gelatins / puddings: -0.01000
granulated sugar: --
gravies: --
hard candy: -4.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -3.20000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

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):

Flavouring Group Evaluation 89 (FGE.89): Consideration of phenyl-substituted aliphatic tertiary alcohols and related aldehydes and esters evaluated by JECFA (63rd and 68th meetings) structurally related to aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters evaluated by EFSA in FGE.18Rev1 (2009)
View page or View pdf

Safety of 31 flavouring compounds belonging to different chemical groups when used as feed additives for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):100-86-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7531
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-methyl-1-phenylpropan-2-ol
Chemidplus:0000100867
RTECS:SG8050000 for cas# 100-86-7