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trans-2-Methyl-3-phenyl-2-propen-1-ol

trans-2-Methyl-3-phenyl-2-propen-1-ol - CAS 1504-55-8

Catalog:	BB010541
Product Name:	trans-2-Methyl-3-phenyl-2-propen-1-ol
CAS:	1504-55-8
Synonyms:	(E)-2-methyl-3-phenylprop-2-en-1-ol

Technical Data

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Computed Properties

IUPAC Name:	(E)-2-methyl-3-phenylprop-2-en-1-ol
Description:	trans-2-Methyl-3-phenyl-2-propen-1-ol (CAS# 1504-55-8) is a useful research chemical.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	CC(=CC1=CC=CC=C1)CO
InChI:	InChI=1S/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+
InChI Key:	LLNAMUJRIZIXHF-VQHVLOKHSA-N
Boiling Point:	268.8 °C at 760 mmHg
Flash Point:	122.5°C
Purity:	98 %
Density:	1.023 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00004738
LogP:	2.08220
Refractive Index:	n20/D 1.572(lit.)

Publication Number	Title	Priority Date
WO-2020070132-A1	Microbiocidal quinoline dihydro-(thiazine)oxazine derivatives	20181006
WO-2020023356-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723
CN-110015947-A	A method of synthesizing unsaturated primary alconol	20180109
CN-110015947-B	Method for synthesizing unsaturated primary alcohol	20180109
CN-107879931-B	Preparation method of cinnamic acid cinnamate	20171127

PMID	Publication Date	Title	Journal
18036716	20070101	Fragrance material review on alpha-methylcinnamic alcohol	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
16872222	20060804	One-Pot synthesis of gamma,delta-unsaturated carbonyl compounds from allyl alcohols and vinyl or isopropenyl acetates catalyzed by [IrCl(cod)]2	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (99.26%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	148.088815002
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.088815002
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3