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Citronellic acid

98%

Synonym(s):

3,7-Dimethyl-6-octenoic acid

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About This Item

Linear Formula:
(CH3)2C=CHCH2CH2CH(CH3)CH2CO2H
CAS Number:
502-47-6
Molecular Weight:
170.25
NACRES:
NA.22
PubChem Substance ID:
24858122
UNSPSC Code:
12352100
EC Number:
207-939-7
MDL number:
MFCD00002728
Assay:
98%
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Quality Level

100

assay

98%

refractive index

n20/D 1.454 (lit.)

bp

121-122 °C/1 mmHg (lit.)

density

0.923 g/mL at 25 °C (lit.)

SMILES string

CC(CC\C=C(\C)C)CC(O)=O

InChI

1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)

InChI key

GJWSUKYXUMVMGX-UHFFFAOYSA-N

General description

Citronellic acid, β-methyl branched acid, is a terepenoid. It is a major component isolated from the leaf oils of Pelargonium species.

Application

(R)-(+)-Citronellic acid was used in synthesis of stereoisomers of 3,11- dimethylnonacosan-2-one and 29-hydroxy-3,11-dimethylnonacosan-2-one.3

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H311,H315

Hazard Classifications

Acute Tox. 3 Dermal - Skin Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
STBH1319
01217EE
06127PI
S34460
16526LR

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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)
M L Hector et al.
World journal of microbiology & biotechnology, 9(5), 562-565 (1993-09-01)
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 unbranched n-octanoic acid (Cau mutants). These mutants are also deficient in
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), 1329-1340 (1981)
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