We have found 46587 results matching your criteria.
Please wait while we search...

General Material Information

Preferred name 4-phenyl-3-buten-2-ol
Trivial Name 4-phenylbut-3-en-2-ol
Formula C10 H12 O
CAS Number 17488-65-2
CAS Number 36004-04-3
CAS Number 31915-95-4
Deleted CAS Number 123536-30-1
FEMA Number 2880
Flavis Number 2.066
ECHA Number 241-501-6
FDA UNII IIV76T367H
Nikkaji Number J28.644C
Beilstein Number 2040727
COE Number 2032
xLogP3-AA 2.10 (est)
NMR Predictor External link
JECFA Food Flavoring 819 4-phenyl-3-buten-2-ol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 17488-65-2 ; 4-PHENYL-3-BUTEN-2-OL
Synonyms
  • 3-buten-2-ol, 4-phenyl-
  • homo cinnamyl alcohol
  • 4-phenyl but-3-en-2-ol
  • (E)-4-phenyl qbut-3-en-2-ol
  • 4-phenylbut-3-en-2-ol

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

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

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
HMDB (The Human Metabolome Database):HMDB31616
FooDB:FDB008254
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 148.20483398438
Specific gravity @ 25 °C
Pounds per Gallon 8.371 to 8.421
Refractive Index 1.558 to 1.567 @ 20 °C
Vapor Pressure 0.004 mmHg @ 25 °C
Flash Point TCC Value 122.22 °C TCC
logP (o/w) 2.043 est
Solubility
alcohol Yes
water, 2935 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
sweet, fruity, floral, balsamic
General comment At 100.00 %. sweet fruity floral balsam
Flavor Type: Waxy
waxy, grape, floral, sweet
General comment At 25.00 ppm in ethyl alcohol. waxy, concord grape, floral, sweet

Occurrences

Potential Uses

Applications
Odor purposes Amber, Balsam, Floral, Fruit, Grape, Hawthorn
Flavoring purposes Candy
Other purposes Waxy

Safety Information

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:
oral-rat LD50 2400 ul/kg

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg

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
IFRA Critical Effect:
Dermal sensitization
View the IFRA Standard
View IFRA Standards Library for complete information.
Please review Amendment 49 IFRA documentation for complete information.
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
Category 1: Products applied to the lips
0.22 %
Category 2: Products applied to the axillae
0.066 %
Category 3: Products applied to the face/body using fingertips
1.30 %
Category 4: Products related to fine fragrance
1.20 %
Category 5: Products applied to the face and body using the hands (palms), primarily leave-on
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on
0.32 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
0.32 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
0.32 %
Category 5D: Baby Creams, baby Oils and baby talc
0.32 %
Category 6: Products with oral and lip exposure
0.73 %
Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
2.50 %
Category 7B: Leave-on products applied to the hair with some hand contact
2.50 %
Category 8: Products with significant anogenital exposure
0.13 %
Category 9: Products with body and hand exposure, primarily rinse off
2.40 %
Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
8.70 %
Category 10B: Household aerosol/spray products
8.70 %
Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
4.80 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
4.80 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
No Restriction
Notes:
IFRA FLAVOR REQUIREMENTS:

Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 790 (μg/person/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: -20.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -20.00000
fruit ices: -20.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.0300020.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
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: --
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): 3.7600020.66000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 3.0700011.97000
Chewing gum (05.3): 3.3300011.97000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 3.890005.03000
Bakery wares (07.0): --
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.570002.26000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --

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):

Scientific Opinion on Flavouring Group Evaluation 215 (FGE.215): Seven a,ß-Unsaturated Cinnamyl Ketones from subgroup 3.2 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 215 Revision 1 (FGE.215Rev1): seven a,ß-unsaturated cinnamyl ketones from subgroup 3.2 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting), structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16Rev2
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):17488-65-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15172
National Institute of Allergy and Infectious Diseases:Data
4-phenylbut-3-en-2-ol
Chemidplus:0017488652
(E)-4-phenylbut-3-en-2-ol
Chemidplus:017488652
(Z)-4-phenylbut-3-en-2-ol
Chemidplus:0031915954