beta-Methylenephenethyl alcohol

HCID 80106
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
6006-81-1
Standard SMILES
C=C(CO)c1ccccc1
InChIKey
BSZGXCFUKRLAAN-UHFFFAOYSA-N
Molecular formula
C9H10O
Average molar mass
134.17 g/mol
Monoisotopic mass
134.07316494

Names & identifiers

Preferred name
beta-Methylenephenethyl alcohol
IUPAC
2-phenylprop-2-en-1-ol
English name
beta-methylenephenethyl alcohol
Molecular formula
C9H10O
Molecular weight
134.18

Names & synonyms

beta-Methylenephenethyl alcohol6006-81-1Benzeneethanol, .beta.-methylene-EINECS 227-857-5DTXSID20208788RefChem:567915Benzeneethanol, beta-methylene-DTXCID70131279227-857-52-Phenylprop-2-en-1-ol2-Phenyl-2-propen-1-ol2-phenyl-prop-2-en-1-ol
Show more names
2-Phenylpropen-3-ol2-Phenylallyl alcoholTiotropium Impurity 24β-Methylenebenzeneethanolβ-methylenephenethyl alcoholBenzeneethanol, b-methylene-Benzeneethanol, β-methylene-
MFCD188274553-hydroxy-2-phenylpropeneSCHEMBL938502-Phenyl-2-propen-1-ol #SCHEMBL2543701Tiotropium Bromide Impurity 49beta-methylene phenylethyl alcoholAKOS027461008

Database identifiers

CAS
6006-81-1
PubChem CID
80106
DTXSID
DTXSID20208788
EC Number
227-857-5
Nikkaji
J223.945K

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Melting point
19 °C · 19 °C
Boiling point
116 · 116-118 °C(Press: 11 Torr)
Density
1.0509 g/cm3 · 1.0509 g/cm3
storage temp.
2 · 2-8°C, stored under nitrogen
pka
14.52 · 14.52±0.10(Predicted)
Appearance
Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Benzeneethanol, .beta.-methylene-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335-H315
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Upstream & downstream products

Suppliers22 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

Loading…