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α-Pinene oxide

α-Pinene oxide structure

CAS No:
1686-14-2
Formula:
C10H16O
Chemical Name:
α-Pinene oxide
Synonyms:
3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-;Pinane,2,3-epoxy-;2,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane;α-Pinene epoxide;α-Pinene oxide;2,3-Epoxypinane;α-Pinene 2,3-oxide;NSC 12148;NSC 407160;NSC 5609;PNO;25488-94-2
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

Solid

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.

α-Pinene oxide Basic Attributes

Molecular Weight：

152.23

Exact Mass：

152.23

EC Number：

216-869-6

NSC Number：

407160|12148|5609

DSSTox ID：

DTXSID5051781

HScode：

2932999099

Characteristics

PSA：

12.5

XLogP3：

2.1

Density：

0.9812 g/cm³ @ Temp: 0 °C

Boiling Point：

102.5 °C

Flash Point：

150 °F

Refractive Index：

n 20/D 1.469(lit.)

Water Solubility：

0.00 M

Vapor Pressure：

0.82 mmHg

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

6.1

RTECS Number：

TK4565000

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.89%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 96 companies from 5 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-pinene oxide

α-Pinene oxide Use and Manufacturing

Manufacturing Info：

3-Oxatricyclo[4.1.1.02,4]octane, 2,7,7-trimethyl-: ACTIVE

Computed Properties

Molecular Weight:152.23
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Exact Mass:152.120115130
Monoisotopic Mass:152.120115130
Topological Polar Surface Area:12.5
Heavy Atom Count:11
Complexity:221
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1686-14-2

Grade: Pharmaceutical Grade

Content: 99%

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alpha-pinene-oxide

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CAS No.: 1686-14-2

Grade: pharmaceutical grade

Content: 99%

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