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trans-Coniferyl alcohol

trans-Coniferyl alcohol structure

CAS No:
32811-40-8
Formula:
C10H12O3
Chemical Name:
trans-Coniferyl alcohol
Synonyms:
Phenol,4-[(1E)-3-hydroxy-1-propen-1-yl]-2-methoxy-;Phenol,4-(3-hydroxy-1-propenyl)-2-methoxy-,(E)-;2-Propen-1-ol,3-(4-hydroxy-3-methoxyphenyl)-,(E)-;Phenol,4-[(1E)-3-hydroxy-1-propenyl]-2-methoxy-;4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenol;trans-3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol;trans-Coniferyl alcohol;(E)-Coniferyl alcohol;(E)-Coniferol;4-[(E)-3-Hydroxy-1-propenyl]-2-methoxyphenol;4-[(1E)-3-Hydroxy-1-propenyl]-2-methoxyphenol;(E)-4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol
Categories:
Natural Products > Phenylpropanoids

Description

Solid

Coniferol is a phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. It has a role as a monolignol, a mouse metabolite, a pheromone, an animal metabolite, a plant metabolite and a volatile oil component. It is a phenylpropanoid and a member of guaiacols. It derives from an (E)-cinnamyl alcohol.

trans-Coniferyl alcohol Basic Attributes

Molecular Weight：

180.20048

Exact Mass：

180.20

EC Number：

207-277-9

UNII：

E7SM92591P

DSSTox ID：

DTXSID9060029|DTXSID50186489

Characteristics

PSA：

49.7

XLogP3：

1.40630

Density：

1.198±0.06 g/cm3(Predicted)

Melting Point：

170-171 °C

Boiling Point：

332.00to333.00°C.@760.00mmHg(est)

Water Solubility：

1.721e+004 mg/L @ 25 °C (est)

Collision Cross Section：

128.6 Å² [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|138.18 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-hydroxy-3-methoxycinnamic alcohol

trans-Coniferyl alcohol Use and Manufacturing

Manufacturing Info：

Phenol, 4-(3-hydroxy-1-propen-1-yl)-2-methoxy-: INACTIVE

Computed Properties

Molecular Weight:180.20
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:49.7
Heavy Atom Count:13
Complexity:168
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of trans-Coniferyl alcohol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

trans-Coniferyl alcohol

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