4-Hydroxybutyl methacrylate

HCID 70457

Basic information

CAS
997-46-6
Standard SMILES
C=C(C)C(=O)OCCCCO
InChIKey
YKXAYLPDMSGWEV-UHFFFAOYSA-N
Molecular formula
C8H14O3
Average molar mass
158.19 g/mol
Monoisotopic mass
158.0942943

Names & identifiers

Preferred name
4-Hydroxybutyl methacrylate
IUPAC
4-hydroxybutyl 2-methylprop-2-enoate
English name
4-Hydroxybutyl methacrylate
Molecular formula
C8H14O3
Molecular weight
158.2

Names & synonyms

4-Hydroxybutyl methacrylate997-46-6EINECS 213-642-3DTXSID30244213RefChem:99295DTXCID30166704213-642-34-hydroxybutyl 2-methylprop-2-enoate29008-35-3Methacrylic acid, monoester with 1,2-butanediolstarbld00087044KBH8DN4TL
Show more names
HYDROXYBUTYL METHACRYLATE1,4-BUTANEDIOLMETHACRYLATE4-methacryloyloxybutyl alcohol2-Propenoic acid, 2-methyl-, 4-hydroxybutyl ester
4-methacryloyloxybutan-1-olSCHEMBL14872SCHEMBL812435SCHEMBL11412289SCHEMBL17437694AKOS025296078AS-86599NS00043075

Database identifiers

CAS
997-46-6
PubChem CID
70457
DTXSID
DTXSID30244213
UNII
4KBH8DN4TL
EC Number
213-642-3
Nikkaji
J25.107K

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
11

Physicochemical properties

Boiling point
65 · 65-70 °C(Press: 0.05 Torr)
Density
1.01 · 1.010±0.06 g/cm3(Predicted)
pka
14.98 · 14.98±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
317 · H317-H332-H312-H302

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (50%);Acute Tox. 4 (50%);Skin Sens. 1 (50%);Acute Tox. 4 (50%)

Regulatory information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H317-H332-H312-H302
Precautionary statements
P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propenoic acid, 2-methyl-, 4-hydroxybutyl ester: ACTIVE

Suppliers15 total

湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]

Related reactions

6 records

Compound notes

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