α-Phellandrene (CAS 99-83-2) — formula C10H16, molecular weight 136.12 g/mol.
Documented applications: Uses: Found in Ceylon ginger oil, Seychelles cinnamon oil, and eucalyptus oil, Used in flavors and perfumes, [Hawley] Used as a chemical intermediate, [HSDB], FLAVORING, PERFUMERY, CHEM INTERMEDIATE, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Household Products: Information on 5 consumer products that contain Alpha-Phellandrene in the following categories is provided:, • Commercial, Institutional, • Inside the Home, Methods of Manufacturing: 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)., U.S. Production: 2023: 630 lb, 2022: 30, 000 lb, 2021: 6, 600 lb, 2020: 7, 700 lb, General Manufacturing Information: Not Known or Reasonably Ascertainable, 1, 3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-: ACTIVE, STRUCTURE: SEMMLER, BER 36, 1749 (1903). SYNTHESIS: READ, STOREY, J CHEM SOC 1930, 2770. CONFIGURATION: BURGSTAHLER ET AL, J AM CHEM SOC 83, 4660 (1961). REVIEW: JL SIMONSEN, THE TERPENES VOL 1 (UNIVERSITY PRESS, CAMBRIDGE, 2ND ED, 1947) PP 193-204., MONOCYCLIC TERPENE OCCURRING AS (A) D- & (B) L-OPTICAL ISOMERS., NATURAL OCCURRENCE AND CHEMISTRY OF ALPHA-PHELLANDRENE., IN DILL ALPHA-PHELLANDRENE CONTENT WAS HIGHEST @ NIGHT, DECR IN DAYLIGHT WITH COMPETITION OF CARVONE PRODN., For more General Manufacturing Information (Complete) data for ALPHA-PHELLANDRENE (18 total), please visit the HSDB record page..
α-Phellandrene is a chemical compound with CAS registry number 99-83-2 and molecular formula C10H16 (molecular weight 136.12 g/mol).
CAS number: 99-83-2
Its molecular formula C10H16 comprises 10 C, 16 H atoms.
Also known as: α-Phellandrene · p-mentha-1,5-diene
The CAS registry number of α-Phellandrene is 99-83-2.
Molecular formula C10H16, molecular weight 136.12 g/mol.
It is also registered under: α-Phellandrene, p-mentha-1,5-diene.
Recorded applications: Uses: Found in Ceylon ginger oil, Seychelles cinnamon oil, and eucalyptus oil, Used in flavors and perfumes, [Hawley] Used as a chemical intermediate, [HSDB], FLAVORING, PERFUMERY, CHEM INTERMEDIATE, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Household Products: Information on 5 consumer products that contain Alpha-Phellandrene in the following categories is provided:, • Commercial, Institutional, • Inside the Home, Methods of Manufacturing: 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)., U.S. Production: 2023: 630 lb, 2022: 30, 000 lb, 2021: 6, 600 lb, 2020: 7, 700 lb, General Manufacturing Information: Not Known or Reasonably Ascertainable, 1, 3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-: ACTIVE, STRUCTURE: SEMMLER, BER 36, 1749 (1903). SYNTHESIS: READ, STOREY, J CHEM SOC 1930, 2770. CONFIGURATION: BURGSTAHLER ET AL, J AM CHEM SOC 83, 4660 (1961). REVIEW: JL SIMONSEN, THE TERPENES VOL 1 (UNIVERSITY PRESS, CAMBRIDGE, 2ND ED, 1947) PP 193-204., MONOCYCLIC TERPENE OCCURRING AS (A) D- & (B) L-OPTICAL ISOMERS., NATURAL OCCURRENCE AND CHEMISTRY OF ALPHA-PHELLANDRENE., IN DILL ALPHA-PHELLANDRENE CONTENT WAS HIGHEST @ NIGHT, DECR IN DAYLIGHT WITH COMPETITION OF CARVONE PRODN., For more General Manufacturing Information (Complete) data for ALPHA-PHELLANDRENE (18 total), please visit the HSDB record page..
Public-database records for α-Phellandrene (CAS 99-83-2), reproduced here for independent cross-checking.
| Reported hazard statements | H226, H304 (95.5%), H317 |
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H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
H304 (95.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
| 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 |
|---|
| 沸点 | 175 °C |
|---|---|
| 熔点 | 249.00 °C. @ 760.00 mm Hg |
| 溶解度 | 5000 mg/L @ 25 °C (exp) |
| 密度 | 0.845-0.855 |
| 蒸气压 | 1.4 [mmHg] |
| LogP | 4.58 |
| 折射率 | 1.471-1.477 |
| CAS Registry Number | 99-83-2 |
|---|---|
| PubChem CID | 7460 |
| 分子式 | C10H16 |
| 分子量 | 136.12 g/mol |
| IUPAC 名称 | 2-methyl-5-propan-2-ylcyclohexa-1,3-diene |
| InChIKey | OGLDWXZKYODSOB-UHFFFAOYSA-N |
| UNII（FDA） | 49JV13XE39 |
| ChEBI 编号 | CHEBI:50035 |
| FEMA 编号 | 2856 |
| JECFA 编号 | 1328 |
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
| 分子量 | 136.23 |
|---|---|
| XLogP3 | 3.2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 0 |
| 可旋转键数 | 1 |
| 精确质量 | 136.125200510 |
| 单同位素质量 | 136.125200510 |
| 拓扑极性表面积 | 0 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
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. 沸点: 175 °C; 熔点: 249.00 °C. @ 760.00 mm Hg; 溶解度: 5000 mg/L @ 25 °C (exp).
Source: PubChem / Wikidata; the batch COA governs where values differ.
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