7-METHYL-3-METHYLEN-1,6-OCTADIENE
Myrcene
CAS: 123-35-3
Molecular Formula: C10H16
7-METHYL-3-METHYLEN-1,6-OCTADIENE - Names and Identifiers
| Name | Myrcene |
| Synonyms | Myrcene FEMA 2762 BETA-MYRCENE Myrcene technical grade 7-METHYL-3-METHYLEN-1,6-OCTADIENE 7-Methyl-3-methylene-1,6-octadiene 2-Methyl-6-methylene-2,7-octadiene 7-METHYL-3-METHYLENE-1,6-OCTADIENE 7-methyl-3-methylideneocta-1,6-diene 1,6-Octadiene, 7-methyl-3-methylene- |
| CAS | 123-35-3 |
| EINECS | 204-622-5 |
| InChI | InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3 |
7-METHYL-3-METHYLEN-1,6-OCTADIENE - Physico-chemical Properties
| Molecular Formula | C10H16 |
| Molar Mass | 136.23 |
| Density | 0.791 g/mL at 25 °C (lit.) |
| Boling Point | 167 °C (lit.) |
| Flash Point | 103°F |
| JECFA Number | 1327 |
| Water Solubility | practically insoluble |
| Solubility | Insoluble in water. Soluble in ethanol, ether, chloroform. Can be mixed with most other spices |
| Vapor Presure | ~7 mm Hg ( 20 °C) |
| Vapor Density | 4.7 (vs air) |
| Appearance | oily |
| Color | Clear light yellow |
| Merck | 14,6331 |
| BRN | 1719990 |
| PH | 7 (H2O, 20℃)(saturated aqueous solution) |
| Storage Condition | 2-8°C |
| Stability | Unstable - may be inhibited by the addition of ca. 400 ppm tenox GT-1 or 1000 ppm BHT. Flammable. Incompatible with strong oxidizing agents, radical initiators. |
| Sensitive | Sensitive to heat and air |
| Refractive Index | n20/D 1.469(lit.) |
| MDL | MFCD00008908 |
| Physical and Chemical Properties | Appearance: slightly yellow or colorless transparent liquid Boiling Point: 166~168 ℃ flash point (closed):39 ℃ refractive index ND20:1.4670~1.4720 density d2525:0.793-0.800 It is easy to polymerize when exposed to air, and is not suitable for long-term storage. perfume intermediates, can be used in the production of dihydrolauryl alcohol, citronellol and other products. |
| Use | For synthetic fragrances |
7-METHYL-3-METHYLEN-1,6-OCTADIENE - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R65 - Harmful: May cause lung damage if swallowed R38 - Irritating to the skin |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. |
| UN IDs | UN 2319 3/PG 3 |
| WGK Germany | 2 |
| RTECS | RG5365000 |
| FLUKA BRAND F CODES | 10-23 |
| HS Code | 29012990 |
| Hazard Class | 3.2 |
| Packing Group | III |
| Toxicity | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1972). |
7-METHYL-3-METHYLEN-1,6-OCTADIENE - Reference
| Reference Show more | 1. He Hua, Wang Haibo, Li Xiankuan et al. GC Simultaneous Determination of 6 Components in Volatile Oil from Schisandra Chinensis Seeds [J]. Liaoning Journal of Traditional Chinese Medicine 2012 039(006):1131-1133. 2. Hong Zongchao, Wu Hezhen, Yang Yanfang, et al. Qualitative and Quantitative Analysis of Volatile Oil from Turmeric Piece Based on GC-MS and GC Technology [J]. Zhongnan Pharmacy, 2019, 17(03):112-120. 3. Wang Xiulan, Hong Zongchao, Wang Jinbo, et al. Determination of myrcene, 2-nonone, isoborneol and curcumol in turmeric volatile oil by gas chromatography [J]. Journal of Shandong University of Traditional Chinese Medicine, 2019, v.43;No.240(05):95-100. 4. Gao Junli, Shao Yanhua, Li Qian, etc. HPTLC Study on Herba Chinensis and Its Related Medicinal Plants [J]. Modern Chinese Medicine, 2015, 17(010):1020-1025. 5. [IF = 5.279] Zuobing Xiao et al."Evaluation of the Perceptual Interaction among Sulfur Compounds in Mango by Feller's Additive Model, Odor Activity Value, and Vector Model." J Agr Food Chem. 2019;67(32):8926-8937 6. [IF = 4.35] Yao Ma et al."Volatile Oil Profile of Prickly Ash (Zanthoxylum) Pericarps from Different Locations in China." Foods. 2021 Oct;10(10):2386 7. [IF = 4.24] Weiyun Bi et al."Preventive effect of different citrus essential oils on primary dysmenorrhea: in vivo and in vitro study." Food Biosci. 2021 Aug;42:101135 8. [IF = 7.514] Lijuan Ma et al."Characterization of the key aroma-active compounds in high-grade Dianhong tea using GC-MS and GC-O combined with sensory-directed flavor analysis." Food Chem. 2022 Jun;378:132058 |
7-METHYL-3-METHYLEN-1,6-OCTADIENE - Nature
Open Data Verified Data
There are two isomers of myrcene: Alpha myrcene and B- myrcene, and B myrcene is mainly found in nature. In the distillate of Phellodendron amurense leaves and Bursa rugosa leaves, the content can reach 50% and 40%, respectively. In addition, in cinnamon oil, maple grass oil, cedar oil, spruce oil, turpentine, verbena oil, lemon grass oil, lemon oil is also present. B- myrcene is a colorless or yellowish liquid with a light balsam aroma. Soluble in ethyl acetate, benzene, ether, petroleum ether and other organic solvents. Molecular weight 136. 24, boiling point 166~168 ℃, relative density of 0.8013, refractive index of 1. 4650.
Last Update：2024-01-02 23:10:35
7-METHYL-3-METHYLEN-1,6-OCTADIENE - Preparation Method
Open Data Verified Data
The distillate from the leaves of Phellodendron amurense L. Or sofumox leaves was separated by distillation. Or from B- pinene pyrolysis.
Last Update：2022-01-01 11:14:48
7-METHYL-3-METHYLEN-1,6-OCTADIENE - Use
Open Data Verified Data
can be used for the preparation of food flavor. Or for the synthesis of linalool, geraniol, nerol, citronellol, citronellal, ionone and other compounds of raw materials.
Last Update：2022-01-01 11:14:48
7-METHYL-3-METHYLEN-1,6-OCTADIENE - Reference Information
| FEMA | 2762 | MYRCENE |
| LogP | 4.82 at 30℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| (IARC) carcinogen classification | 2B (Vol. 119) 2019 |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | gas chromatography analysis with polar column according to GT-10-4. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 4.4; Cold drink 6.4; Candy 0.50413; Baked food 4.9. Moderate limit (FDA § 172.515,2000). |
| use | GB 2760-1996 specified as allowed edible spices. Mainly used to prepare assorted fruits and citrus flavors. Used to synthesize spices Hydrocarbon synthetic spices. Mainly used in cologne perfume and deodorant. It is also an important raw material for the synthesis of terpenes. |
| production method | prepared from linalool as raw material. It is made by cracking β-pinene at 160 ℃. It is obtained by separating the wine oil with a content of 30% ~ 35%. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:06
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View History
7-METHYL-3-METHYLEN-1,6-OCTADIENE
trimethylene(cyclic)
7580-85-0
1-(5-Chloro-2-hydroxyphenyl)ethan-1-one
7-Isopropyl-2,4-dimethylazulene
octahydro-4,7-methano-1H-indene-2-carboxylic acid
FEMA 3661
N-ALPHA-CARBOBENZOXY-CYCLOLEUCINE
2-[(4-methylphenyl)sulfonyl]cyclohexanol
铝箔
trimethylene(cyclic)
7580-85-0
1-(5-Chloro-2-hydroxyphenyl)ethan-1-one
7-Isopropyl-2,4-dimethylazulene
octahydro-4,7-methano-1H-indene-2-carboxylic acid
FEMA 3661
N-ALPHA-CARBOBENZOXY-CYCLOLEUCINE
2-[(4-methylphenyl)sulfonyl]cyclohexanol
铝箔