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ALPHA-PHELLANDRENE Structure

ALPHA-PHELLANDRENE

Chemical Properties

Boiling point 185.55°C (rough estimate)
Density  0.85 g/mL at 25 °C(lit.)
FEMA  2856 | ALPHA-PHELLANDRENE
refractive index  n20/D 1.474(lit.)
Flash point 117 °F
storage temp.  Store below +30°C.
solubility  Benzene: Soluble; Chloroform: Soluble
form  An oil
Melting point <25 °C
color  Colorless to light yellow
Odor at 10.00 % in dipropylene glycol. citrus herbal terpene green woody peppery
Odor Type terpenic
biological source synthetic
optical activity [α]20/D 139 to 110°, neat
JECFA Number 1328
Merck  13,7277
Henry's Law Constant 1.8×10-4 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
Stability Light Sensitive, Temperature Sensitive
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
InChIKey OGLDWXZKYODSOB-UHFFFAOYSA-N
SMILES CC(C)C1CC=C(C)C=C1
LogP 4.43
CAS DataBase Reference 99-83-2(CAS DataBase Reference)
EPA Substance Registry System 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)- (99-83-2)

Safety Information

Hazard Codes  Xn,F
Risk Statements  10-22-36/37/38-43
Safety Statements  16-26-36/37
RIDADR  UN 2319 3/PG 3
WGK Germany  3
RTECS  OS8080000
TSCA  TSCA listed
HS Code  3301 90 10
HazardClass  3.2
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Asp. Tox. 1
Flam. Liq. 3
Hazardous Substances Data 99-83-2(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 5700 mg/kg

MSDS

Usage And Synthesis

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