Myrcene

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Names

[ CAS No. ]:
123-35-3

[ Name ]:
Myrcene

[Synonym ]:
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
EINECS 204-622-5

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
167.0±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C10H16

[ Molecular Weight ]:
136.234

[ Flash Point ]:
39.4±0.0 °C

[ Exact Mass ]:
136.125198

[ LogP ]:
4.58

[ Vapour density ]:
4.7 (vs air)

[ Vapour Pressure ]:
2.3±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.450

[ 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.

[ Water Solubility ]:
practically insoluble

MSDS

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 Word ]:
Danger

[ Hazard Statements ]:
H226-H304-H315-H319

[ Precautionary Statements ]:
P210-P301 + P310-P305 + P351 + P338-P331-P370 + P378

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R10;R36/37/38

[ Safety Phrases ]:
S16-S26-S36-S37/39

[ RIDADR ]:
UN 2319 3/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
RG5365000

[ Packaging Group ]:
III

[ Hazard Class ]:
3.2

[ HS Code ]:
2901299090

Synthetic Route

Precursor & DownStream

Precursor

  • Geraniol
  • (2-methylene-3-butenyl)-trimethyltin
  • 3,3-Dimethylallyl bromide
  • Neryl methyl ether
  • Nerylacetate
  • (2E)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine
  • 3,7-dimethyl-1-[(tetrahydro-2H-pyran-2-yl)oxy]-(E)-2,6-octadiene
  • 2-chloromethyl-1,3-butadiene
  • magnesium,2-methylbut-2-ene,chloride
  • neryl 2-tetrahydropyranyl ether

DownStream

  • 6,10-Dimethyl-5,9-undecadien-2-one
  • PSEUDOIONONE
  • 10-methyl-6-methyleneundeca-3,9-dien-2-one
  • 10-methyl-6-methylideneundec-9-en-2-one
  • 2-methyl-6-methylideneocta-1,3,7-triene
  • GERANYL PROPIONATE
  • neryl propionate
  • pseudo linalyl acetate
  • Isohexenyl cyclohexenyl carboxaldehyde
  • citrus carbaldehyde

Customs

[ HS Code ]: 2901299090

[ Summary ]:
2901299090 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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Related Compounds

  • Myrcene-d6
  • epoxymyrcene
  • myrcene sultone
  • myrcene sulfone
  • 1,2-epoxymyrcene
  • myrcene disulfide