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Substance Name: Myrcene
RN: 123-35-3
UNII: 3M39CZS25B
InChIKey: UAHWPYUMFXYFJY-UHFFFAOYSA-N
Note
- Beta-myrcene found in oil of bay, verbenea, hops, etc.
Molecular Formula
- C10-H16
Molecular Weight
- 136.236
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Natural Product
- Reproductive Effect
- Skin / Eye Irritant
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Links to Resources
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Names and Synonyms
Name of Substance
- Myrcene
Synonyms
- 1,6-Octadiene, 7-methyl-3-methylene-
- 2-methyl-6-methylene-1,7-octadiene
- 2-Methyl-6-methylene-2,7-octadiene
- 3-Methylene-7-methyl-1,6-octadiene
- 4-01-00-01108 (Beilstein Handbook Reference)
- 7-Methyl-3-methylene-1,6-octadiene
- AI3-00738
- Alpha-myrcene
- beta-Geraniolene
- BRN 1719990
- CCRIS 3725
- EC 204-622-5
- EINECS 204-622-5
- FEMA No. 2762
- HSDB 1258
- Myrcene
- Myrcene (natural)
- NSC 406264
- UNII-3M39CZS25B
Systematic Names
- 1,6-Octadiene, 7-methyl-3-methylene-
- 7-Methyl-3-methyleneocta-1,6-diene
- beta-Myrcene
Superlist Names
- 1,6-Octadiene, 7-methyl-3-methylene-
- Myrcene
Registry Numbers
CAS Registry Number
- 123-35-3
FDA UNII
- 3M39CZS25B
Other Registry Number
- 2153-31-3
System Generated Number
- 0000123353
Structure Descriptors
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3InChIKey
UAHWPYUMFXYFJY-UHFFFAOYSA-NSmiles
CC(=CCCC(=C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 615, 1976. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 615, 1976. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1.00E+01 | deg C | EXP | |
| Boiling Point | 167 | deg C | EXP | |
| log P (octanol-water) | 4.17 | (none) | EXP | |
| Water Solubility | 5.6 | mg/L | 25 | EXP |
| Vapor Pressure | 2.01 | mm Hg | 25 | EXP |
| Henry's Law Constant | 0.064 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.15E-10 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.