Geranic acid
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Geranic acid
structure -
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CAS No:
459-80-3
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Formula:
C10H16O2
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Chemical Name:
Geranic acid
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Synonyms:
2,6-Octadienoic acid,3,7-dimethyl-;Geranic acid;3,7-Dimethyl-2,6-octadienoic acid;NSC 229335
- Categories:
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CAS No:
Description
Colorless viscous liquid; neat; sweet, foral green, geranium leafike, woody with a citrus orange body nuance.
Liquid
Characteristics
37.30000
2.76370
Liquid
1.10 g/cm3
185-186 °C (decomp)
118-120 °C @ Press: 0.1 Torr
>230 °F
n20/D 1.484(lit.)
Practically insoluble to insoluble in water
0.000373mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R21
S36/37
RG5380000
Xn: Harmful;Xi: Irritant;
P280
H312-H315
Computed Properties
Molecular Weight:168.23
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:168.115029749
Monoisotopic Mass:168.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:208
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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