α-水芹烯

Description

α-Phellandrene is identified by CAS 99-83-2, molecular formula C10H16 and molecular weight 136.12 g/mol. UNII 49JV13XE39; ChEBI 50035; InChIKey OGLDWXZKYODSOB-UHFFFAOYSA-N. Boiling Point: 175 °C; Melting Point: 249.00 °C. @ 760.00 mm Hg; Solubility: 5000 mg/L @ 25 °C (exp).

Identification

CAS Registry Number	99-83-2
PubChem CID	7460
Molecular formula	C10H16
Molecular weight	136.12 g/mol
IUPAC name	2-methyl-5-propan-2-ylcyclohexa-1,3-diene
InChIKey	OGLDWXZKYODSOB-UHFFFAOYSA-N
UNII (FDA)	49JV13XE39
ChEBI ID	CHEBI:50035
FEMA number	2856
JECFA number	1328

Computed Descriptors

Molecular Weight	136.23
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	136.125200510
Monoisotopic Mass	136.125200510
Topological Polar Surface Area	0
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	175 °C
Melting Point	249.00 °C. @ 760.00 mm Hg
Solubility	5000 mg/L @ 25 °C (exp)
Density	0.845-0.855
Vapor Pressure	1.4 [mmHg]
LogP	4.58
Refractive Index	1.471-1.477

Physical description & handling notes

• Liquid
• Colorless liquid; [Hawley]
• Colourless to slightly yellow, mobile liquid; peppery, woody, herbaceous aroma
• COLORLESS OIL
• PRACTICALLY INSOL IN WATER; SOL IN ETHER /D- & L-FORMS/
• Insoluble in water; soluble in oils

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Citrus, Fresh, Mint, Pepper, Spice, Wood No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226, H304 (95.5%), H317

Documented Uses

• Found in Ceylon ginger oil, Seychelles cinnamon oil, and eucalyptus oil; Used in flavors and perfumes; [Hawley] Used as a chemical intermediate; [HSDB]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 5 consumer products that contain Alpha-Phellandrene in the following categories is provided:
• ISOLATION OF L-FORM FROM ESSENTIAL OILS OF EUCALYPTUS DIVES SCHAU & E PHELLANDRA BAKER & SMITH, MYRTACEAE: SMITH ET AL, J CHEM SOC 123, 1657 (1923). ISOLATION OF D-FORM FROM OIL OF BITTER FENNEL (FOENICULUM VULGARE MILL, UMBELLIFERAE): WALLACH, ANN 336, 9 (1904).
• Not Known or Reasonably Ascertainable

Synonyms

ALPHA-PHELLANDRENE; 99-83-2; p-Mentha-1,5-diene; Menthadiene; alpha-Fellandrene; Dihydro-p-cymene; alpha Phellandrene; 5-Isopropyl-2-methyl-1,3-cyclohexadiene; 4-Isopropyl-1-methyl-1,5-cyclohexadiene; Phellandrene, alpha-; 1-Isopropyl-4-methyl-2,4-cyclohexadiene; 1-Methyl-4-isopropyl-1,5-cyclohexadiene; 2-Methyl-5-isopropyl-1,3-cyclohexadiene; 5-isopropyl-2-methylcyclohexa-1,3-diene; 2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene; FEMA No. 2856

Frequently Asked Questions

What are the CAS number and molecular formula of α-Phellandrene?

CAS 99-83-2; molecular formula C10H16; molecular weight 136.12 g/mol.

What other names is α-Phellandrene known by?

ALPHA-PHELLANDRENE, 99-83-2, p-Mentha-1,5-diene, Menthadiene, alpha-Fellandrene, Dihydro-p-cymene.

What is the regulatory status of α-Phellandrene?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is α-Phellandrene classified as hazardous?

Hazard statements reported: H226, H304, H317.

What are the key physical properties of α-Phellandrene?

Boiling Point: 175 °C; Melting Point: 249.00 °C. @ 760.00 mm Hg; Solubility: 5000 mg/L @ 25 °C (exp); Density: 0.845-0.855.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.