CITRONELLIC ACID

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Names

[ CAS No. ]:
502-47-6

[ Name ]:
CITRONELLIC ACID

[Synonym ]:
MFCD00002728
3,7-Dimethyl-6-octenoic acid,Citronellic acid
Citronellic acid
EINECS 207-939-7
3,7-Dimethyl-6-octenoic Acid
Rhodinic Acid
3,7-dimethyloct-6-enoic acid

Chemical & Physical Properties

[ Density]:
0.923 g/mL at 25 °C(lit.)

[ Boiling Point ]:
121-122 °C1 mm Hg(lit.)

[ Molecular Formula ]:
C10H18O2

[ Molecular Weight ]:
170.24900

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
170.13100

[ PSA ]:
37.30000

[ LogP ]:
2.84360

[ Index of Refraction ]:
n20/D 1.454(lit.)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH3230000
CHEMICAL NAME :
6-Octenoic acid, 3,7-dimethyl-
CAS REGISTRY NUMBER :
502-47-6
BEILSTEIN REFERENCE NO. :
1722960
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H18-O2
MOLECULAR WEIGHT :
170.28
WISWESSER LINE NOTATION :
QV1Y1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,653,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2610 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,653,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,653,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5133 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H311-H315

[ Precautionary Statements ]:
P280-P312

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

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R21

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
UN 2810 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
RH3230000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2916190090

Precursor & DownStream

Precursor

  • Citronellal
  • geranic acid
  • butyrolactone
  • magnesium,2-methylpent-2-ene,bromide
  • Citronellol
  • (+)-Citronellal
  • ethyl levulinate dimethyl ketal
  • diethyl 2-(6-methylhept-5-en-2-yl)propanedioate
  • GERANIC ACID
  • sodium 1,3-diethoxy-1,3-dioxopropan-2-ide

DownStream

  • ethyl citronellate
  • Geraniol
  • cis-3,7-Dimethyl-2,6-octadien-1-ol
  • 3-Methyladipic acid
  • Citronellal
  • UNII:DPY9K1927C
  • 4,6-dimethylnonanoic acid
  • methyl citronellate
  • 1-Methyl-3-isopropylcyclopentane
  • 3,7-dimethyloctan-1-ol,4-methylbenzenesulfonic acid

Customs

[ HS Code ]: 2916190090

[ Summary ]:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

Articles

Isolation and characterization of Pseudomonas aeruginosa mutants deficient in the utilization of the terpenoid citronellic acid.

World J. Microbiol. Biotechnol. 9(5) , 562-5, (1993)

Eighteen non-sibling mutants of Pseudomonas aeruginosa PAO were isolated that were deficient in the utilization of the β-methyl branched acid citronellic acid but not in the utilization of the unbranc...

Citronellic acid: A major component in two Pelargonium species (Geraniaceae). Lis-Balchin M and Roth G.

J. Essent. Oil Res. 11(1) , 83-85, (1999)

Stereocontrolled synthesis of all of the possible stereoisomers of 3, 11-dimethylnonacosan-2-one and 29-hydroxy-3, 11-dimethylnonacosan-2-one: The female sex pheromone of the german cockroach. Mori K, et al.

Tetrahedron 37(7) , 1329-40, (1981)


More Articles


Related Compounds

  • CITRONELLIC ACID
  • (-)-citronellic acid
  • Citronellic acid,dihydro
  • (R)-(+)-CITRONELLIC ACID
  • citronellic acid chloride
  • hydroxy-3-citronellic acid