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13429-83-9

13429-83-9 Structure

13429-83-9 Structure
IdentificationMore
[Name]

(1S)-(-)-Camphanic acid
[CAS]

13429-83-9
[Synonyms]

(1R)-(-)-CAMPHANIC ACID
(1S)-3-OXO-4,7,7-TRIMETHYL-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID
(1S)-(-)-CAMPHANIC ACID
4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
(-)-CAMPHANIC ACID
CAMPHANIC ACID
(S)-(-)-1-CAMPHANIC ACID
(−
)-Camphanic acid
(1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
4,7,7-trimethyl(2-oxabicyclo[2.2.1]hept-1-yl)carboxylic acid
(1S)-(-)-OMEGA-Camphanic acid
2-Oxabicyclo2.2.1heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (1S,4R)-
(IS) CAMPHANIC ACID
(-)-CAMPHANIC ACID 98+%
(-)-Camphanic acid, (1S)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
(1S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, (1S)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
1,7,7-Trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid
(1S,4R)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
(3R,6S)-2-Oxo-3β,6β-isopropylidene-3-methyltetrahydro-2H-pyran-6-carboxylic acid
[EINECS(EC#)]

236-552-6
[Molecular Formula]

C10H14O4
[MDL Number]

MFCD00044948
[Molecular Weight]

198.22
[MOL File]

13429-83-9.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER
[Melting point ]

201-205 °C
[alpha ]

-18.5 º (c=1, dioxane)
[Boiling point ]

255.53°C (rough estimate)
[density ]

1.0143 (rough estimate)
[refractive index ]

1.4500 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystaline
[pka]

3.36±0.60(Predicted)
[color ]

White to Almost white
[Optical Rotation]

[α]20/D 18°, c = 1 in dioxane
[BRN ]

84570
[InChI]

InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m0/s1
[InChIKey]

RKFCLVFAFZYVCG-WDEREUQCSA-N
[SMILES]

[C@@]12(C(O)=O)C(C)(C)[C@@](C)(CC1)C(=O)O2
[CAS DataBase Reference]

13429-83-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29329995
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid(13429-83-9).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER
[Uses]

(1S)-(-)-Camphanic acid may be used in the preparation of (-)-(1S,4R)-camphanoyl chloride by reacting with thionyl chloride.
[Definition]

ChEBI: (-)-camphanic acid is a delta-lactone.
[General Description]

(1S)-(-)-Camphanic acid is commonly used as a chiral auxiliary for the separation of racemates.
[Purification Methods]

Dissolve it in CH2Cl2, dry (MgSO4), filter, evaporate and the residue is sublimed at 120o/0.5mm or 140o/1mm. [Gerlach Helv Chim Acta 61 2773 1978, Beilstein 18/8 V 101.]
Spectrum DetailBack Directory
[Spectrum Detail]

(1S)-(-)-Camphanic acid(13429-83-9)MS
(1S)-(-)-Camphanic acid(13429-83-9)1HNMR
(1S)-(-)-Camphanic acid(13429-83-9)13CNMR
(1S)-(-)-Camphanic acid(13429-83-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(-)-Camphanic acid, 99%(13429-83-9)
[Alfa Aesar]

(1S)-(-)-Camphanic acid, 99%(13429-83-9)
[Sigma Aldrich]

13429-83-9(sigmaaldrich)
[TCI AMERICA]

(-)-Camphanic Acid,>98.0%(T)(13429-83-9)
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