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hexyl tiglate

Chemical Structure

General Material Information

Preferred name hexyl tiglate
Trivial Name Hexyl tiglate
Short Description 2-methyl-2-butenoic acid, hexyl ester
Formula C11 H20 O2
CAS Number 16930-96-4
MDL MFCD00016625
xLogP3-AA 3.60 (est)
NMR Predictor External link
Synonyms
  • hexyl 2-butenoate
  • hexyl 2-methylbut-2-enoate
  • hexyl crotonate
  • hexyl tiglinate
  • 2-methyl crotonic acid hexyl ester
  • methyl-2-butenoic acid hexyl ester
  • 2-methyl-2-butenoic acid, hexyl ester
  • 2-Butenoic acid, 2-methyl-, hexyl ester, (2E)-
  • Crotonic acid, 2-methyl-, hexyl ester, (E)-
  • 2-Butenoic acid, 2-methyl-, hexyl ester, (E)-
  • ENT 33335
  • n-Hexyl tiglate
  • Hexyl (E)-2-methylbut-2-enoate

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):HMDB36211
FooDB:FDB015069
Export Tariff Code:2916.19.6000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 184.27879333496
Specific gravity @ 25 °C
Pounds per Gallon 7.397 to 7.481
Refractive Index 1.439 to 1.448 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.052 mmHg @ 25 °C
Flash Point TCC Value 108 °C TCC
logP (o/w) 4.263 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
dipropylene glycol Yes
paraffin oil Yes
water, 15.2 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
fresh, green, natural, oily, herbal, fruity
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity > 4 hour(s) at 100.00 %
Luebke, William tgsc, (1994) At 10.00 % in dipropylene glycol. fresh green natural oily herbal fruity
Flavor Type: Green
green, nasturtium, oily, creamy, herbal, plastic
General comment Green nasturtium oily creamy herbal plastic

Occurrences

Safety Information

Safety information

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 skin thouroughly 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.
P321 - Specific treatment (see supplemental first aid instructions on this label).
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
Dispose of contents/ container to an approved waste disposal plant.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Dispose of contents/ container to an approved waste disposal plant.

Inhalation Toxicity:
Not determined

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 hexyl tiglate usage levels up to:
8.0000 % in the fragrance concentrate.

Safety references

EPI System: View
EPA Substance Registry Services (TSCA):16930-96-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :28151
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
hexyl 2-methylbut-2-enoate
Chemidplus:0016930964
RTECS:GQ5780000 for cas# 16930-96-4