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2-propenyl-para-cymene

Chemical Structure

General Material Information

Preferred name 2-propenyl-para-cymene
Trivial Name 1-Methyl-4-(1-methylethyl)-2-(1-propen-1-yl)benzene
Short Description verdoracine (Givaudan)
Formula C13 H18
CAS Number 14374-92-6
ECHA Number 238-347-7
FDA UNII Search
Beilstein Number 2552678
xLogP3-AA 4.40 (est)
NMR Predictor External link
Synonyms
  • benzene, 1-methyl-4-(1-methylethyl)-2-(1-propen-1-yl)-
  • p- cymene, 2-propenyl-
  • 1-methyl-4-(1-methyl ethyl)-2-((E)-1-propenyl) benzene
  • 1-methyl-4-(1-methyl ethyl)-2-(1-propenyl) benzene
  • 1-methyl-4-(1-methylethyl)-2-(1-propenyl)benzene
  • 1-methyl-4-propan-2-yl-2-prop-1-enylbenzene
  • 2-prop-1-enyl-p-cymene
  • 2-prop-1-enyl-para-cymene
  • 2-propenyl-p-cymene
  • 4-iso propyl-1-methyl-2-(prop-1-en-1-yl)benzene
  • 4-iso propyl-1-methyl-2-propenyl benzene
  • 4-iso propyl-1-methyl-2-propenylbenzene
  • verdoracine (Givaudan)
  • 1-methyl-4-propan-2-yl-2-prop-1-enylbenzene
  • p-Cymene, 2-propenyl-
  • Benzene, 1-methyl-4-(1-methylethyl)-2-(1-propenyl)-
  • 1-Methyl-4-(1-methylethyl)-2-(1-propen-1-yl)benzene
  • 4-Isopropyl-1-methyl-2-propenylbenzene
  • Pelargene
  • Verdoracine
  • 4-Isopropyl-1-methyl-2-[1′-propenyl]benzene

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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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 174.28645324707
Boiling Point 245 to 246°C @ 760 mm Hg
Vapor Pressure 0.045 mmHg @ 25 °C
Flash Point TCC Value 96.67 °C TCC
logP (o/w) 5.166 est
Solubility
alcohol Yes
water, 1.71 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, sweet, carrot, dry, earthy
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 24 hour(s) at 100.00 %
General comment At 10.00 % in dipropylene glycol. green sweet carrot dry earthy
Verdoracine has a green note with aspects of freshly peeled carrots and dry earthy qualities of galbanum. It is used in detergents at up to 3% to support the green, particularly galbanic heart of a fragrance. It is also used in toiletries and fine fragrances as a 10% dilution at 1% to support earthy, herbaceous notes. Green, Carrot, Galbanum

Potential Uses

Applications
Odor purposes Citrus, Earth, Galbanum, Green, Herbal
Cosmetic purposes Perfuming agents

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)
Flammable liquids (Category 4), H227
Acute toxicity, Oral (Category 5), H303
Aspiration hazard (Category 1), H304
Skin irritation (Category 2), H315
GHS Label elements, including precautionary statements
Pictogramhealth-hazard.jpgexclamation-mark.jpg
Signal word Danger
Hazard statement(s)
H227 - Combustible liquid
H303 - May be harmfulif swallowed
H304 - May be fatal if swallowed and enters airways
H315 - Causes skin irritation
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264 - Wash skin thouroughly after handling.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P301 + P310 - IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P331 - Do NOT induce vomiting.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P370 + P378 - In case of fire: Use appropriate media to extinguish.
P403 + P235 - Store in a well-ventilated place. Keep cool.
P405 - Store locked up.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 369, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 369, 1988.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
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 2-propenyl-para-cymene usage levels up to:
3.0000 % in the fragrance concentrate.
Recommendation for 2-propenyl-para-cymene flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):14374-92-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :84398
National Institute of Allergy and Infectious Diseases:Data
WISER:UN NA1993
WGK Germany:2
1-methyl-4-propan-2-yl-2-prop-1-enylbenzene
Chemidplus:0014374926