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Key Documents

Safety Information

W314220

Sigma-Aldrich

3,7-Dimethyl-6-octenoic acid

natural, 97%, FG

Synonym(s):

Citronellic acid, 3,7-Dimethyl-6-octenoic acid

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About This Item

Linear Formula:
(CH3)2C=CHCH2CH2CH(CH3)CH2CO2H
CAS Number:
Molecular Weight:
170.25
FEMA Number:
3142
EC Number:
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
8.036
NACRES:
NA.21
Organoleptic:
fatty; grassy; green; floral; smoky
grade:
FG
Halal
Kosher
natural
food allergen:
no known allergens

grade

FG
Halal
Kosher
natural

Quality Level

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 110

Assay

97%

refractive index

n20/D 1.450
n20/D 1.454 (lit.)

bp

121-122 °C/1 mmHg (lit.)

density

0.923 g/mL at 25 °C (lit.)
0.923 g/mL at 25 °C

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

fatty; grassy; green; floral; smoky

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

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Other Notes

Natural occurrence: citronalla java, camphore oil, cypress oil, geranium, lemongrass, mandarin peel, orange leaf, petitgrain combava oil.

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 3 Dermal - Skin Irrit. 2

Storage Class Code

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Regulatory Information

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