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3-Cyclohexene-1-methanol

3-Cyclohexene-1-methanol structure

CAS No:
1679-51-2
Formula:
C7H12O
Chemical Name:
3-Cyclohexene-1-methanol
Synonyms:
3-Cyclohexene-1-methanol;3-Cyclohexene-1-carbinol;4-(Hydroxymethyl)-1-cyclohexene;1-(Hydroxymethyl)-3-cyclohexene;Cyclohex-3-en-1-ylmethanol;1,2,3,6-Tetrahydrobenzyl alcohol;1,2,5,6-Tetrahydrobenzyl alcohol;Cyclohexen-4-ylmethanol;(Cyclohex-1-en-4-yl)methanol;NSC 158554;3,4-Cyclohexenylmethanol;Cyclohex-1-ene-4-methanol;(Cyclohex-3-enyl)methanol;THBA;72581-32-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless liquid

3-Cyclohexene-1-methanol Basic Attributes

Molecular Weight：

112.17

Exact Mass：

112.17

EC Number：

216-847-6

NSC Number：

158554

DSSTox ID：

DTXSID0044600

HScode：

29061990

Characteristics

PSA：

20.2

XLogP3：

1.3

Density：

0.961 g/mL at 25 °C(lit.)

Boiling Point：

82 °C @ Press: 12 Torr

Flash Point：

169 °F

Refractive Index：

n 20/D 1.484(lit.)

Safety Information

wgk germany：

safety instructions：

23-24/25

3-Cyclohexene-1-methanol Use and Manufacturing

Uses

3-Cyclohexene-1-methanol is a cyclohexene derivative found in essential oil of various citrus varieties. 3-Cyclohexene-1-methanol is used in the preparation of photo-cross-linkable polymers with redissolution property.

Manufacturing Info：

3-Cyclohexene-1-methanol: ACTIVE

Computed Properties

Molecular Weight:112.17
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:86.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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