ChemicalBook--->CAS DataBase List--->1686-14-2

1686-14-2

1686-14-2 Structure

1686-14-2 Structure
IdentificationMore
[Name]

ALPHA-PINENE OXIDE
[CAS]

1686-14-2
[Synonyms]

2,3-EPOXYPINANE
(-)-ALPHA-PINENE OXIDE
ALPHA-PINENE OXIDE
AURORA KA-478
DL-ALPHA-PINENE OXIDE
EPOXY ALPHA PINENE
PINENE OXIDE, ALPHA-
.alpha.-Pinene epoxide (Isomer 1)
.alpha.-Pinene epoxide (Isomer 2)
2,3-epoxy-pinan
2,7,7-trimethyl-3-oxatricyclo(4.1.1.0(sup2,4))octane
2-pineneoxide
3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-
4))octane,2,7,7-trimethyl-3-oxatricyclo(4.1.1.0(sup
4]octane,2,7,7-trimethyl-3-oxatricyclo[4.1.1.0
alpha-Pinene epoxide
alpha-Pinene oxyde
alpha-pineneepoxide
Pinane, 2,3-epoxy-
2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
[EINECS(EC#)]

216-869-6
[Molecular Formula]

C10H16O
[MDL Number]

MFCD00066955
[Molecular Weight]

152.23
[MOL File]

1686-14-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

102-103 °C/50 mmHg (lit.)
[density ]

0.964 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.469(lit.)
[Fp ]

150 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Chloroform (Sparingly), Dichloromethane (Sparingly), Ethanol (Slightly)
[form ]

Oil
[color ]

Colourless
[Specific Gravity]

0.97
[Henry's Law Constant]

2.3×10-2 mol/(m3Pa) at 25℃, Fichan et al. (1999)
[Stability:]

Moisture Sensitive
[InChI]

1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3/t6-,7-,8?,10?/m1/s1
[InChIKey]

NQFUSWIGRKFAHK-BGPATTHWSA-N
[SMILES]

CC1(C)[C@H]2CC3OC3(C)[C@@H]1C2
[LogP]

2.339 (est)
[CAS DataBase Reference]

1686-14-2(CAS DataBase Reference)
[EPA Substance Registry System]

3-Oxatricyclo[4.1.1.02,4]octane, 2,7,7-trimethyl- (1686-14-2)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H227-H331
[Precautionary statements ]

P210-P261-P271-P280-P304+P340+P311-P370+P378-P403+P233-P405-P501
[RIDADR ]

2810
[WGK Germany ]

3
[RTECS ]

TK4565000
[TSCA ]

TSCA listed
[HS Code ]

2910.90.9100
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Definition]

ChEBI: Alpha-pinene oxide is an epoxide of alpha-pinene. It has a role as a fragrance, a bacterial xenobiotic metabolite and a human metabolite. It is a pinane monoterpenoid and an epoxide. It derives from a hydride of an alpha-pinene.
[Preparation]

a-Pinene oxide is prepared industrially by using percarboxylic acid. Processes based on air oxidation are also known.
[Uses]

An industrially important reaction of optically active a-pinene oxide is rearrangement to campholene aldehyde (e.g., in the presence of zinc bromide). Subsequent aldol condensation with lower aliphatic aldehydes or ketones (e.g., propionaldehyde, butyraldehyde, or acetone) provides unsaturated aldehydes or ketones that can be reduced to the corresponding saturated alcohols. These are used in the fragrance industry as a sandalwood scent.
Spectrum DetailBack Directory
[Spectrum Detail]

ALPHA-PINENE OXIDE(1686-14-2)MS
ALPHA-PINENE OXIDE(1686-14-2)1HNMR
ALPHA-PINENE OXIDE(1686-14-2)13CNMR
ALPHA-PINENE OXIDE(1686-14-2)IR1
ALPHA-PINENE OXIDE(1686-14-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1686-14-2(sigmaaldrich)
[TCI AMERICA]

alpha-Pinene Oxide,>95.0%(GC)(1686-14-2)
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