CAS 123-35-3|Myrcene

Introduction:Basic information about CAS 123-35-3|Myrcene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameMyrcene
CAS Number123-35-3Molecular Weight136.234
Density0.8±0.1 g/cm3Boiling Point167.0±0.0 °C at 760 mmHg
Molecular FormulaC10H16Melting Point/
MSDSChineseUSAFlash Point39.4±0.0 °C
Symbol
GHS02, GHS07, GHS08
Signal WordDanger

Names

Nameβ-myrcene
SynonymMore Synonyms

Myrcene BiologicalActivity

DescriptionMyrcene (β-Myrcene), an aromatic volatile compound, suppresses TNFα-induced NF-κB activity. Myrcene has anti-invasive effect[1][2].
Related CatalogResearch Areas >>Others
Target

NF-κB

References

[1]. Eunson Hwang, et al. Myrcene, an Aromatic Volatile Compound, Ameliorates Human Skin Extrinsic Aging via Regulation of MMPs Production. Am J Chin Med. 2017;45(5):1113-1124.

[2]. Jeong-Ho Lee, et al. Anti-invasive effect of β-myrcene, a component of the essential oil from Pinus koraiensis cones, in metastatic MDA-MB-231 human breast cancer cells. Journal of the Korean Society for Applied Biological Chemistry volume 58, pages563–569.

Chemical & Physical Properties

Density0.8±0.1 g/cm3
Boiling Point167.0±0.0 °C at 760 mmHg
Molecular FormulaC10H16
Molecular Weight136.234
Flash Point39.4±0.0 °C
Exact Mass136.125198
LogP4.58
Vapour density4.7 (vs air)
Vapour Pressure2.3±0.1 mmHg at 25°C
Index of Refraction1.450
InChIKeyUAHWPYUMFXYFJY-UHFFFAOYSA-N
SMILESC=CC(=C)CCC=C(C)C
Storage condition2-8°C
StabilityUnstable - 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.
Water Solubilitypractically insoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RG5365000
CHEMICAL NAME :
1,6-Octadiene, 7-methyl-3-methylene-
CAS REGISTRY NUMBER :
123-35-3
BEILSTEIN REFERENCE NO. :
1719990
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C10-H16
MOLECULAR WEIGHT :
136.26
WISWESSER LINE NOTATION :
1Y1&U3YU1&1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,615,1976 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,615,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,615,1976 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
12 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 31,31,1993
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
14 mg/kg
SEX/DURATION :
female 15-21 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4)
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 31,623,1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1662 No. of Facilities: 200 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 801 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1662 No. of Facilities: 2650 (estimated) No. of Industries: 14 No. of Occupations: 29 No. of Employees: 25154 (estimated) No. of Female Employees: 12898 (estimated)

Safety Information

Symbol
GHS02, GHS07, GHS08
Signal WordDanger
Hazard StatementsH226-H304-H315-H319
Precautionary StatementsP210-P301 + P310-P305 + P351 + P338-P331-P370 + P378
Personal Protective EquipmentEyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXi:Irritant;
Risk PhrasesR10;R36/37/38
Safety PhrasesS16-S26-S36-S37/39
RIDADRUN 2319 3/PG 3
WGK Germany2
RTECSRG5365000
Packaging GroupIII
Hazard Class3.2
HS Code2901299090

Customs

HS Code2901299090
Summary2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

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Synonyms

β-Myrcene
2-Methyl-6-methylene-2,7-octadiene
1,6-Octadiene,7-methyl-3-methylene
1,6-Octadiene, 7-methyl-3-methylene-
MFCD00008908
7-methyl-3-methylideneocta-1,6-diene
Myrcene
7-methyl--3-methylen-1,6-octadiene
b-Geraniolene
7-methyl-3-methyleneocta-1,6-diene
7-Methyl-3-methylene-1,6-octadiene
7-methyl-3-methylidene-octa-1,6-diene
Myrcene (natural)
beta-myrcene
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