CAS 622-08-2 2-(Benzyloxy) ethanol (HCID 12141)

Names & identifiers

Preferred name: 2-(Benzyloxy) ethanol
IUPAC: 2-phenylmethoxyethanol
English name: 2-Benzyloxyethanol
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

2-(Benzyloxy)ethanol622-08-22-BenzyloxyethanolEthylene glycol monobenzyl etherEthanol, 2-(phenylmethoxy)-Benzyl Glycol1-O-Benzylethanediol2-(BENZYLOXY) ETHANOL2-benzyloxyethyl alcoholHSDB 2104EINECS 210-719-3BRN 2043566

Show more names

2-(benzyloxy)ethan-1-olBenzyloxyethanolBenzylcelosolvBENZYL CELLOSOLVEBenzul cellusolveGlycol benzyl etherRARECHEM AL BD 0628Benzyl-PEG1-alcohol

AI3-01040UNII-06S8147L47NSC-8886DTXSID3060744BENZYL 2-HYDROXYETHYL ETHER4-06-00-02241 (Beilstein Handbook Reference)ETHYLENE GLYCOL BENZYL ETHER2-(BENZYLOXY) ETHANOL [HSDB]

Database identifiers

CAS: 622-08-2
PubChem CID: 12141
DTXSID: DTXSID3060744
UNII: 06S8147L47
EC Number: 210-719-3
Nikkaji: J6.835G

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 87

Experimental & physicochemical properties

OdorFAINT, ROSE-LIKE ODOR

Density1.0640 @ 20 °C/4 °C

Color/FormWATER WHITE LIQUID

SolubilitySOL IN WATER, ALCOHOL, ETHER

Flash Point265 °F OC

Boiling Point256 °C @ 760 MM HG

Physicochemical properties

Melting point: -75 °C · <-75 °C
Boiling point: 265 °C · 265 °C (lit.)
Density: 1.071 g/mL · 1.071 g/mL at 25 °C (lit.)
vapor pressure: 7.3 hPa · 7.3hPa at 25℃
refractive index: 20 · n20/D 1.521(lit.)
Flash point: 110 °C · 110 °C
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 14.4 · 14.40±0.10(Predicted)
form: Liquid
color: Clear colorless
Specific Gravity: 1.07 · 1.07
Odor: mild rose
Water Solubility: 4.282 g/L · 4.282g/L(23 ºC)
BRN: 2043566 · 2043566
Henry's Law Constant: 8.2 · 8.2×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Cosmetics Ingredients Functions: SOLVENT
InChIKey: CUZKCNWZBXLAJX-UHFFFAOYSA-N
LogP: 1.01 at · 1.01 at 25℃
CAS DataBase Reference: 622 · 622-08-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 6 S8147L47 · 06S8147L47
NIST Chemistry Reference: 2 · Ethanol, 2-(phenylmethoxy)-(622-08-2)
EPA Substance Registry System: 2 · Ethanol, 2-(phenylmethoxy)- (622-08-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
RTECS: 7550000 · KJ7550000
TSCA: TSCA listed
HS Code: 29052900 · 29052900
Hazardous Substances Data: 622 · 622-08-2(Hazardous Substances Data)
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: Ethanol, 2-(phenylmethoxy)-

Status: Active Update: 31-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31596

Ethanol, 2-(phenylmethoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Ethanol, 2-(phenylmethoxy)-: Human health tier I assessment

Hazards SummaryIn oral lethal dose studies of rats, effects include general anesthesia and kidney changes; [RTECS] Toxic by ingestion; [Hawley] An irritant; [MSDSonline] See GLYCOL ETHERS.

NFPA Hazard Classification · 4 items

2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.

1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.

0 - Materials that in themselves are normally stable, even under fire conditions.

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)；Skin Irrit. 2 (97.6%)；Eye Irrit. 2 (97.6%)；STOT SE 3 (97.6%)

Acute toxicity (Oral) - Category 4；Serious eye damage/eye irritation - Category 1

Safety & protection

Fire Fighting Procedures · 2 items

CARBON DIOXIDE, DRY CHEMICAL

WATER SOLUBLE: NO; "ALCOHOL" FOAM. WATER OR FOAM MAY CAUSE FROTHING.

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Human Toxicity Excerpts · 2 items

SEE GLYCOLS. MOST OF GLYCOLS HAVE LOW VOLATILITY AND CONSEQUENTLY PRESENT LITTLE DANGER FROM INHALATION OF VAPORS...THERE IS SOME EVIDENCE THAT GLYCOL ETHERS ARE MORE TOXIC THAN OTHER MEMBERS OF GROUP. /GLYCOLS/

MODERATELY TOXIC BY INGESTION.

Regulatory information

Regulatory Information · 3 items

Chemical: Ethanol, 2-(phenylmethoxy)-

Status: Active Update: 31-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31596

Ethanol, 2-(phenylmethoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

wgk: 3
tsca: TSCA listed
rtecs: KJ7550000
hs_code: 29052900
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36-37/39
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Hazardous Substances Data: 622-08-2(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

Uses · 5 items

Used as a laboratory reagent, solvent (cellulose acetate, lacquers, dyes, inks, and resins), perfume fixative, and intermediate; Also used in coatings for leather, paper, and cloth; [HSDB]

Pulp and Paper Processing [Category: Industry]；Painting (Solvents) [Category: Paint]；Leather Tanning and Processing [Category: Industry]；Textiles (Printing, Dyeing, or Finishing) [Category: Industry]

LABORATORY REAGENT

SOLVENT FOR CELLULOSE ACETATE, DYES, INKS, RESINS; PERFUME FIXATIVE

ORGANIC SYNTHESIS (SELECTIVE HYDROXYETHYLATING AGENT); COATING COMPOSITIONS FOR LEATHER, PAPER, & CLOTH; LACQUERS

General Manufacturing InformationEthanol, 2-(phenylmethoxy)-: ACTIVE

Applications · 3 items

DescriptionBenzyl-PEG2-alcohol is a PEG linker with an acid labile, benzyl protecting group and a reactive primary alcohol. The primary alcohol can react and further derivatize the compound. The hydrophilic PEG linker increases the water solubility of the compound in aqueous media.

Uses2-Benzyloxyethanol is used in a base-free iridium-catalyzed direct alkylation of active methylene compounds with alcohols.

Uses2-(Benzyloxy)ethanol has been used in:9-(2-hydroxyethyl)-linked synthesis of 2,6-diaminopurinessynthesis of benzyloxy ethyl methacrylate monomer by esterification with methacryloyl chloridea base-free iridium-catalyzed direct alkylation of active methylene compounds with alcohols