α-水芹烯（CAS 99-83-2）：分子式 C10H16、分子量 136.23。
| CAS号 | 99-83-2 |
|---|---|
| 分子式 | C10H16 |
| 分子量 | 136.23 |
| 熔点 | 249.00 °C. @ 760.00 mm Hg |
| 沸点 | 175 °C |
| LogP | 4.58 |
| 应用领域 | 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. |
登记用途：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-水芹烯 是一种化工化合物，登记 CAS 号为 99-83-2，分子式 C10H16（分子量 136.23）。
登记 CAS 号：99-83-2
其分子式 C10H16 由 10 个碳、16 个氢 组成。
别名/同义词：α-水芹烯 · p-mentha-1,5-diene · α-Phellandrene
α-水芹烯 的 CAS 登记号为 99-83-2。
分子式 C10H16，分子量 136.23。
别名/同义词：α-水芹烯、p-mentha-1,5-diene、α-Phellandrene。
登记用途：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-水芹烯（CAS 99-83-2）的独立参考数据，整理自公开化学数据库。
| 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 |
| 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 |
| 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 |
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
| 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 |
|---|
| Reported hazard statements | H226, H304 (95.5%), H317 |
|---|
H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
H304 (95.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
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).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: p-mentha-1,5-diene