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(Z)-3-hexen-1-yl benzoate

Chemical Structure

General Material Information

Preferred name (Z)-3-hexen-1-yl benzoate
Trivial Name cis-3-Hexenyl benzoate
Short Description cis-3-hexenyl benzoate
Formula C13 H16 O2
CAS Number 25152-85-6
FEMA Number 3688
ECHA Number 246-669-4
FDA UNII P4871S0YA9
Nikkaji Number J36.023F
MDL MFCD00036526
COE Number 11778
NMR Predictor External link
JECFA Food Flavoring 858 cis-3-hexenyl benzoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 25152-85-6 ; CIS-3-HEXENYL BENZOATE
Synonyms
  • benzoic acid (Z)-hex-3-enyl ester
  • benzoic acid, 3-hexenyl ester, (Z)-
  • (3Z)- hex-3-en-1-yl benzoate
  • (Z)- hex-3-enyl benzoate
  • [(Z)- hex-3-enyl] benzoate
  • (Z)-3-hexen-1-ol benzoate
  • 3-hexen-1-ol, benzoate, (3Z)-
  • 3-hexen-1-ol, benzoate, (Z)-
  • (Z)-3-hexen-1-yl benzoate
  • cis-3-hexen-1-yl benzoate
  • (Z)-3-hexenyl benzoate
  • C3 hexenyl benzoate
  • cis-3-hexenyl benzoate
  • 3-hexenyl benzoate, (Z)-
  • 3-hexenyl benzoate, cis-
  • hexenyl-cis-3-benzoate
  • [(Z)-hex-3-enyl] benzoate
  • 3-Hexen-1-ol, 1-benzoate, (3Z)-
  • 3-Hexen-1-ol, benzoate, (Z)-
  • 3-Hexen-1-ol, benzoate, (3Z)-
  • cis-3-Hexenyl benzoate
  • (Z)-3-Hexenyl benzoate
  • Benzoic acid cis-3-hexene ester
  • Leaf benzoate
  • (3Z)-Hexenyl benzoate
  • (Z)-Hex-3-en-1-yl benzoate

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
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB33379
FooDB:FDB011409
Export Tariff Code:2916.31.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 204.26892089844
Specific gravity @ 25 °C
Pounds per Gallon 8.279 to 8.354
Specific gravity @ 20 °C
Pounds per Gallon 8.306 to 8.372
Refractive Index 1.503 to 1.514 @ 20 °C
Acid Value 2 max KOH/g
Vapor Pressure 0.002 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 110 °C TCC
logP (o/w) 4.241 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
alcohol Yes
water, 13.95 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
fresh, green, leafy, floral, orchid, balsamic, fatty, sweet, oily, spicy, fruity
Odor strength medium
Substantivity > 8 hour(s) at 100.00 %
Luebke, William tgsc, (1995) At 100.00 %. fresh green leafy floral orchid balsamic fatty
Mosciano, Gerard P&F 17, No. 5, 127, (1992) Green, sweet, oily, floral, spicy, with fruity undertones
Flavor Type: Fatty
fatty, floral, green, fruity, spicy, woody
Mosciano, Gerard P&F 17, No. 5, 127, (1992) At 10.00 ppm. Fatty, floral, green, fruity, spicy with woody nuances
Adds body to fresh peach, apricot, cherry, jasmine, watermelon. Green, fruity, floral
General comment Fatty floral green fruity spice woody

Occurrences

Potential Uses

Applications
Odor purposes Cherry, Chypre, Cranberry, Fern, Gardenia, Green, Herbal, Jasmin, Melon, Moss, Peach, Pear, Plum, Rose, Tonka bean, Woody, Ylang ylang
Flavoring purposes Tea black tea
Other purposes Fixer
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 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 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H319 - Causes serious eye irritation
H335 - May cause respiratory irritation
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash hands thoroughly after handling.
P271 - Use only outdoors or in a well-ventilated area.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P403 + P233 - Store in a well-ventilated place. Keep container tightly closed.
P405 - Store locked up.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1976u)

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
(Moreno, 1976u)

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
limits in the finished product for - "leave on the skin contact":
0.5000 % Recommendation.
limits in the finished product for - "wash off the skin contact":
0.5000 % Recommendation.
limits in the finished product for - "no skin contact":
5.0000 % Recommendation.
Recommendation for (Z)-3-hexen-1-yl benzoate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -3.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): -2.00000
breakfast cereal: --
cheese: --
chewing gum: -10.00000
condiments / relishes: --
confectionery froastings: -1.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: -3.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -1.00000
meat products: --
milk products: -1.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -1.00000
soups: --
sugar substitutes: --
sweet sauces: -1.00000

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) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):25152-85-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5367706
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(Z)-hex-3-enyl] benzoate
Chemidplus:0025152856
RTECS:DH1442500 for cas# 25152-85-6