1-Octen-3-ol 98%

CAT: 0286-O01490-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0286-O01490-01Size:10 g

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CAS Number

3391-86-4

Synonyms

Pentyl vinyl carbinol; Amyl vinyl carbinol

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00004589

Hazard Statement

H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1-Octen-3-Ol

Oct-1-en-3-ol is an alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1C-2. It is a major volatile compound present in many mushrooms and fungi. It has a role as an insect attractant, a volatile oil component, an antimicrobial agent and a fungal metabolite. It is a medium-chain fatty alcohol and an alkenyl alcohol. It derives from a hydride of a 1-octene.

CAS Number	3391-86-4
PubChem CID	18827
IUPAC Name	oct-1-en-3-ol
Molecular Formula	C8H16O
Molecular Weight	128.21
XLogP	2.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	69

SMILES

CCCCCC(C=C)O

InChI

InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

InChIKey

VSMOENVRRABVKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3391-86-4

CID: 18827

Formula: C8H16O

MW: 128.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	128.21
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	128.120115130
Monoisotopic Mass	128.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	69
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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1-Octen-3-ol 98%

Chemical Information

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