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(E)-2-hexen-1-yl phenyl acetate

Chemical Structure

General Material Information

Preferred name (E)-2-hexen-1-yl phenyl acetate
Trivial Name (2E)-2-Hexen-1-yl benzeneacetate
Short Description trans-2-hexenyl phenylacetate
Formula C14 H18 O2
CAS Number 68133-78-8
Flavis Number 9.4
ECHA Number 268-705-8
FDA UNII Search
Nikkaji Number J208.916E
MDL MFCD00036543
xLogP3-AA 3.60 (est)
NMR Predictor External link
Synonyms
  • benzeneacetic acid, (2E)-2-hexen-1-yl ester
  • benzeneacetic acid, (2E)-2-hexenyl ester
  • benzeneacetic acid, 2-hexenyl ester, (E)-
  • (2E)- hex-2-en-1-yl phenylacetate
  • (E)- hex-2-enyl phenyl acetate
  • (E)- hex-2-enyl phenylacetate
  • [(E)- hex-2-enyl] 2-phenylacetate
  • (E)-2-hexen-1-yl phenyl acetate
  • trans-2-hexen-1-yl phenyl acetate
  • trans-2-hexen-1-yl phenylacetate
  • (E)-2-hexenyl phenyl acetate
  • trans-2-hexenyl phenyl acetate
  • (E)-2-hexenyl phenylacetate
  • trans-2-hexenyl phenylacetate
  • phenylacetic acid trans-2-hexen-1-yl ester
  • [(E)-hex-2-enyl] 2-phenylacetate
  • (2E)-2-Hexen-1-yl benzeneacetate

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

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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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.39.7700
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 218.29585266113
Specific gravity @ 25 °C
Pounds per Gallon 8.18 to 8.263
Refractive Index 1.497 to 1.504 @ 20 °C
Vapor Pressure 0.001 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 110 °C TCC
logP (o/w) 4.391 est
Solubility
alcohol Yes
water, 7.167 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, mossy, rummy, honey
General comment At 100.00 %. green mossy rum honey
Primarily used for persistent sweet notes in fragrances. Green, rummy character with sweet honey-like dry down

Potential Uses

Applications
Odor purposes Freesia, Green, Honey, Moss, Neroli, Orange blossom, Orchid, Saffron
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
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 > 5000 mg/kg
Primarily used for persistent sweet notes in fragrances.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Primarily used for persistent sweet notes in fragrances.

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 (E)-2-hexen-1-yl phenyl acetate usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.01 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1800 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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): 4.100007.77000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 3.300005.95000
Edible ices, including sherbet and sorbet (03.0): 3.300005.95000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 3.300005.95000
Confectionery (05.0): 6.170009.81000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 3.300005.95000
Bakery wares (07.0): 6.800009.71000
Meat and meat products, including poultry and game (08.0): 3.300005.95000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 3.300005.95000
Eggs and egg products (10.0): 3.300005.95000
Sweeteners, including honey (11.0): 3.300005.95000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 1.000003.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 1.750002.69000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.320002.17000
Ready-to-eat savouries (15.0): 3.300005.95000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 3.300005.95000

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):

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):68133-78-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5368236
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(E)-hex-2-enyl] 2-phenylacetate
Chemidplus:0068133788