α-Phellandrene

CAS 99-83-2C10H16MW 136.12 g/mol

α-Phellandrene（CAS 99-83-2）：分子式 C10H16、分子量 136.12 g/mol。

规格参数

CAS号99-83-2

分子式C10H16

分子量136.12 g/mol

熔点249.00 °C. @ 760.00 mm Hg

沸点175 °C

LogP4.58

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.

用途与场景

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.。

采购档案

这个产品是什么

α-Phellandrene 是一种化工化合物，登记 CAS 号为 99-83-2，分子式 C10H16（分子量 136.12 g/mol）。

识别信息

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-Phellandrene · p-mentha-1,5-diene

常见问题

α-Phellandrene 的 CAS 号是多少？

α-Phellandrene 的 CAS 登记号为 99-83-2。

α-Phellandrene 的分子式与分子量是多少？

分子式 C10H16，分子量 136.12 g/mol。

α-Phellandrene 还有哪些别名？

别名/同义词：α-Phellandrene、p-mentha-1,5-diene。

α-Phellandrene 的登记用途是什么？

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.。

PubChem 公开数据

α-Phellandrene（CAS 99-83-2）的公开数据库记录，列此仅供独立核对。

危险化学品分类与危害说明

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]

法规与备案状态

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

物理形态与操作说明

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

公开数据库收录的理化数据

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

这个物质在各数据库里的编号

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

数据库记载的用途

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

它在各数据库里的别名

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

计算机算出的分子描述符

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

数据库摘要

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).

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。