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99-83-2

99-83-2 Structure

99-83-2 Structure
IdentificationMore
[Name]

ALPHA-PHELLANDRENE
[CAS]

99-83-2
[Synonyms]

1-ISOPROPYL-4-METHYL-2,4-CYCLOHEXADIENE
5-ISOPROPYL-2-METHYL-1,3-CYCLOHEXADIENE
ALPHA-PHELLANDRENE
A-PHELLANDRENE
FEMA 2856
P-MENTHA-1,5-DIENE
(-)-2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene
1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-
1,5-p-menthadiene
2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene
2-methyl-5-(1-methylethyl)-3-cyclohexadiene
3-Cyclohexadiene,2-methyl-5-(1-methylethyl)-1
4-Isopropyl-1-methyl-1,5-cyclohexadiene
5-Isopropyl-2-methyl-cyclohexa-1,3-diene
5-isopropyl-2-methylcyclohexa-1,3-diene (alpha-phellandrene)
alpha-Fellandrene
alpha-phellanderene
l-Phellandrene
menthadiene
p-Menthadiene ((-)-)
[EINECS(EC#)]

202-792-5
[Molecular Formula]

C10H16
[MDL Number]

MFCD00040419
[Molecular Weight]

136.23
[MOL File]

99-83-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

185.55°C (rough estimate)
[density ]

0.85 g/mL at 25 °C(lit.)
[FEMA ]

2856
[refractive index ]

n20/D 1.474(lit.)
[Fp ]

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
[biological source]

synthetic
[Odor Type]

terpenic
[Optical Rotation]

[α]20/D 139 to 110°, neat
[JECFA Number]

1328
[Merck ]

13,7277
[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 DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Health Hazard (GHS08)
GHS02,GHS08
[Signal word ]

Danger
[Hazard statements ]

H226-H304
[Precautionary statements ]

P210-P301+P310+P331
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 2319 3/PG 3
[WGK Germany ]

3
[RTECS ]

OS8080000
[TSCA ]

TSCA listed
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29021990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Asp. Tox. 1
Flam. Liq. 3
[Safety Profile]

Mdly toxic by ingestion. A severe human skin irritant. Incompatible with air. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

99-83-2(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 5700 mg/kg
Hazard InformationBack Directory
[Chemical Properties]

α-Phellandrene has a pleasant, fresh, citrus, peppery odor with a discrete mint note. This compound is also reported as having a minty, herbaceous odor.
[Occurrence]

The d-form has been reported found in the essential oils of bitter fennel, Ceylon cinnamon leaves, star anise, Curcuma longa and other essential oils; the l-form has been reported found in various eucalyptus oils, orange peel oil, angelica, Lantana camara and other oils. Reported found in over 100 foods and beverages including apricot, many citrus peel oils and juices, black currants, papaya, raspberry, strawberry, carrot, celery leaves and seed, bell pepper, tomato, cinnamon, cumin seed, ginger, Mentha oils, nutmeg, pepper, mace, parsley, thyme, Gruyere cheese, cured pork, hop oil, beer, tea, pecan, passion fruit, sweet and wild marjoram, mango, parsnip, cardamom, coriander seed, gin, litchi, dill herb and seed, lovage leaf and seed, caraway, juniper berry, laurel, bitter and sweet fennel, myrtle leaf and berry, sage, nectarine, pimento leaf and berry and mastic gum leaf oil.
[Uses]

α-Phellandrene is an essential oil component, found to have bactericidal activity.
[Definition]

ChEBI: One of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic).
[Aroma threshold values]

Detection: 40 to 200 ppb
[Taste threshold values]

Taste characteristics at 20 ppm: terpenic, citrus-lime with a fresh green note.
[General Description]

α-Phellandrene is monoterpene reported to be one of the aroma compounds of black (Piper nigrum) and white ‘‘Ashanti pepper′′ (Piper guineense). It also occurs in the leaves of basil.
[Synthesis]

The l-form by isolation from Eucalyptus numerosa and similar oils; also from the manufacture of synthetic menthol.
Spectrum DetailBack Directory
[Spectrum Detail]

ALPHA-PHELLANDRENE(99-83-2)MS
ALPHA-PHELLANDRENE(99-83-2)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

99-83-2(sigmaaldrich)
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